ethyl (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: ethyl (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-p-phenetyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4/c1-6-27-16-10-8-15(9-11-16)20-19(22(26)28-7-2)14(3)24-17-12-23(4,5)13-18(25)21(17)20/h8-11,20-21H,6-7,12-13H2,1-5H3/t20-,21?/m0/s1