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

Systemtic Name: ethyl (4S)-2,7,7-trimethyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: ethyl (4S)-4-(4-isopropylphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-2,7,7-trimethyl-5-oxo-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-2,7,7-trimethyl-5-oxo-4-(4-propan-2-ylphenyl)-3,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-5-keto-2,7,7-trimethyl-4-p-cumenyl-3,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCOC(=O)C1[C@H](C2=C(CC(CC2=O)(C)C)N=C1C)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C24H31NO3/c1-7-28-23(27)20-15(4)25-18-12-24(5,6)13-19(26)22(18)21(20)17-10-8-16(9-11-17)14(2)3/h8-11,14,20-21H,7,12-13H2,1-6H3/t20?,21-/m1/s1