ethyl (4S)-2-azanyl-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4S)-2-azanyl-4-(3,4-dimethoxyphenyl)-5-oxidanylidene-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2-amino-4-(3,4-dimethoxyphenyl)-5-oxo-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-2-amino-4-(3,4-dimethoxyphenyl)-5-keto-1-phenyl-4,6,7,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1C3=CC(=C(C=C3)OC)OC)C(=O)CCC2)C4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C([C@@H]1C3=CC(=C(C=C3)OC)OC)C(=O)CCC2)C4=CC=CC=C4)N

InChI

InChI=1S/C26H28N2O5/c1-4-33-26(30)24-22(16-13-14-20(31-2)21(15-16)32-3)23-18(11-8-12-19(23)29)28(25(24)27)17-9-6-5-7-10-17/h5-7,9-10,13-15,22H,4,8,11-12,27H2,1-3H3/t22-/m0/s1