methyl (4R)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4R)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4R)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-4-(2-butoxyphenyl)-5-keto-2,7,7-trimethyl-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C

Isomeric SMILES

CCCCOC1=CC=CC=C1[C@H]2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C

InChI

InChI=1S/C24H31NO4/c1-6-7-12-29-19-11-9-8-10-16(19)21-20(23(27)28-5)15(2)25-17-13-24(3,4)14-18(26)22(17)21/h8-11,21-22H,6-7,12-14H2,1-5H3/t21-,22?/m1/s1