methyl (8aS)-5-azanyl-6,7,7-tricyano-8-(3-ethoxy-2-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: methyl (8aS)-5-azanyl-6,7,7-tricyano-8-(3-ethoxy-2-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: methyl (8aS)-5-amino-6,7,7-tricyano-8-(3-ethoxy-2-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: (8aS)-5-amino-6,7,7-tricyano-8-(3-ethoxy-2-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid methyl ester IUPAC Name: methyl (8aS)-5-amino-6,7,7-tricyano-8-(3-ethoxy-2-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: (8aS)-5-amino-6,7,7-tricyano-8-(3-ethoxy-2-methoxy-phenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid methyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC)C2C3CN(CC=C3C(=C(C2(C#N)C#N)C#N)N)C(=O)OC

Isomeric SMILES

CCOC1=CC=CC(=C1OC)C2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)C#N)N)C(=O)OC

InChI

InChI=1S/C23H23N5O4/c1-4-32-18-7-5-6-15(21(18)30-2)19-16-11-28(22(29)31-3)9-8-14(16)20(27)17(10-24)23(19,12-25)13-26/h5-8,16,19H,4,9,11,27H2,1-3H3/t16-,19?/m1/s1