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

Systemtic Name: (4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: (4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-phenyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid p-anisyl 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)C(=O)OCC4=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

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