2-methylpropyl 2-methyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: 2-methylpropyl 2-methyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: isobutyl 4-(4-benzyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-methyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid isobutyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31NO4/c1-18(2)16-33-28(31)25-19(3)29-23-10-7-11-24(30)27(23)26(25)21-12-14-22(15-13-21)32-17-20-8-5-4-6-9-20/h4-6,8-9,12-15,18,26,29H,7,10-11,16-17H2,1-3H3