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

Systemtic Name: cyclopentyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: cyclopentyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl (4S)-2,7,7-trimethyl-5-oxo-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-(2-propoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid cyclopentyl ester Formula: C27H35NO4 MolecularWeight: 437.5711

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C

Isomeric SMILES

CCCOC1=CC=CC=C1[C@@H]2C3C(=NC(=C2C(=O)OC4CCCC4)C)CC(CC3=O)(C)C

InChI

InChI=1S/C27H35NO4/c1-5-14-31-22-13-9-8-12-19(22)24-23(26(30)32-18-10-6-7-11-18)17(2)28-20-15-27(3,4)16-21(29)25(20)24/h8-9,12-13,18,24-25H,5-7,10-11,14-16H2,1-4H3/t24-,25?/m0/s1