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

Systemtic Name: (phenylmethyl) 2-methyl-5-oxidanylidene-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: benzyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 2-methyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methyl-5-oxo-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 5-keto-2-methyl-4-(2-propoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid benzyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C27H29NO4/c1-3-16-31-23-15-8-7-12-20(23)25-24(27(30)32-17-19-10-5-4-6-11-19)18(2)28-21-13-9-14-22(29)26(21)25/h4-8,10-12,15,25,28H,3,9,13-14,16-17H2,1-2H3