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

Systemtic Name: (phenylmethyl) 4-(3-ethoxyphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,4a,6-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate CAS Name: 4-(3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(3-ethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,4a,6-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-m-phenetyl-1,4,4a,6-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC4=CC=CC=C4)C)(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C2C3C(=O)CC(C=C3NC(=C2C(=O)OCC4=CC=CC=C4)C)(C)C

InChI

InChI=1S/C28H31NO4/c1-5-32-21-13-9-12-20(14-21)25-24(27(31)33-17-19-10-7-6-8-11-19)18(2)29-22-15-28(3,4)16-23(30)26(22)25/h6-15,25-26,29H,5,16-17H2,1-4H3