methyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(4-ethoxy-3-methoxy-phenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@@H]2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C)OC

InChI

InChI=1S/C23H29NO5/c1-7-29-17-9-8-14(10-18(17)27-5)20-19(22(26)28-6)13(2)24-15-11-23(3,4)12-16(25)21(15)20/h8-10,20-21H,7,11-12H2,1-6H3/t20-,21?/m0/s1