User 84a961ab9d
22-03-2016 14:30:44
Hello!
is it possible to setup custom names for substructures for generating IUPAC names?
with atom and bond (heterocycles) indexes.
for example: OC1=C2CC3=CC=CC(CC4=CC=CC(CC5=C(O)C(CC1=CC=C2)=CC=C5)=C4O)=C3O
marvin named as: pentacyclo[19.3.1.1³,⁷.1⁹,¹³.1¹⁵,¹⁹]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaene-25,26,27,28-tetrol
but most common name for this structure is: 25,26,27,28-tetrahydroxycalix[4]arene
it would be nice to save in custom dict structures withnumbers like this C1C2=[CH:26]C(CC3=[CH:27]C(CC4=[CH:28]C(CC5=CC=CC1=[CH:25]5)=CC=C4)=CC=C3)=CC=C2 and use it as template