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

Systemtic Name: cyclopentyl (4S)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4S)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S)-4-(2-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-o-phenetyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1[C@@H]2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C26H33NO4/c1-5-30-21-13-9-8-12-18(21)23-22(25(29)31-17-10-6-7-11-17)16(2)27-19-14-26(3,4)15-20(28)24(19)23/h8-9,12-13,17,23-24H,5-7,10-11,14-15H2,1-4H3/t23-,24?/m0/s1