(phenylmethyl) 2-methyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 4-(4-isopropylphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-p-cumenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO3/c1-17(2)20-12-14-21(15-13-20)25-24(27(30)31-16-19-8-5-4-6-9-19)18(3)28-22-10-7-11-23(29)26(22)25/h4-6,8-9,12-15,17,25,28H,7,10-11,16H2,1-3H3