ethyl 6-azanyl-5,7,7-tricyano-8-(3-methoxy-4-phenylmethoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: ethyl 6-azanyl-5,7,7-tricyano-8-(3-methoxy-4-phenylmethoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: ethyl 6-amino-8-(4-benzyloxy-3-methoxy-phenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(3-methoxy-4-phenylmethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5,7,7-tricyano-8-(3-methoxy-4-phenylmethoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-8-(4-benzoxy-3-methoxy-phenyl)-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid ethyl ester Formula: C29H27N5O4 MolecularWeight: 509.55578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

CCOC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C29H27N5O4/c1-3-37-28(35)34-12-11-21-22(14-30)27(33)29(17-31,18-32)26(23(21)15-34)20-9-10-24(25(13-20)36-2)38-16-19-7-5-4-6-8-19/h4-11,13,23,26H,3,12,15-16,33H2,1-2H3