propan-2-yl (4R)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl (4R)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl (4R)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4R)-4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(4-ethylphenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid isopropyl ester Formula: C24H31NO3 MolecularWeight: 381.50784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3C(=NC(=C2C(=O)OC(C)C)C)CC(CC3=O)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2C3C(=NC(=C2C(=O)OC(C)C)C)CC(CC3=O)(C)C

InChI

InChI=1S/C24H31NO3/c1-7-16-8-10-17(11-9-16)21-20(23(27)28-14(2)3)15(4)25-18-12-24(5,6)13-19(26)22(18)21/h8-11,14,21-22H,7,12-13H2,1-6H3/t21-,22?/m1/s1