propan-2-yl (4S)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl (4S)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: isopropyl (4S)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4S)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4S)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4S)-4-(2-butoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid isopropyl ester Formula: C26H35NO4 MolecularWeight: 425.5604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC(C)C)C

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC(C)C)C

InChI

InChI=1S/C26H35NO4/c1-7-8-13-30-21-12-10-9-11-18(21)23-22(25(29)31-16(2)3)17(4)27-19-14-26(5,6)15-20(28)24(19)23/h9-12,16,23,27H,7-8,13-15H2,1-6H3/t23-/m1/s1