(phenylmethyl) 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid benzyl ester Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C28H31NO3/c1-5-19-11-13-21(14-12-19)25-24(27(31)32-17-20-9-7-6-8-10-20)18(2)29-22-15-28(3,4)16-23(30)26(22)25/h6-14,25,29H,5,15-17H2,1-4H3