pentyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: pentyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: pentyl (4S)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid pentyl ester IUPAC Name: pentyl (4S)-2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid amyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)CC(C2)(C)C)C

Isomeric SMILES

CCCCCOC(=O)C1=C(NC2=C([C@@H]1C3=CC=CC=C3)C(=O)CC(C2)(C)C)C

InChI

InChI=1S/C24H31NO3/c1-5-6-10-13-28-23(27)20-16(2)25-18-14-24(3,4)15-19(26)22(18)21(20)17-11-8-7-9-12-17/h7-9,11-12,21,25H,5-6,10,13-15H2,1-4H3/t21-/m1/s1