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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=CC=C1C2C3=C(CCCC3=O)NC(=C2C(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C28H31NO4/c1-3-4-17-32-24-16-9-8-13-21(24)26-25(28(31)33-18-20-11-6-5-7-12-20)19(2)29-22-14-10-15-23(30)27(22)26/h5-9,11-13,16,26,29H,3-4,10,14-15,17-18H2,1-2H3