(phenylmethyl) 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-4-(3-methoxyphenyl)-2,7,7-trimethyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=CC=C3)OC)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=CC=C3)OC)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO4/c1-17-23(26(30)32-16-18-9-6-5-7-10-18)24(19-11-8-12-20(13-19)31-4)25-21(28-17)14-27(2,3)15-22(25)29/h5-14,24-25,28H,15-16H2,1-4H3