[2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,5-diethoxy-4-morpholino-anilino)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-[2,5-diethoxy-4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2,5-diethoxy-4-morpholin-4-ylanilino)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-(2,5-diethoxy-4-morpholino-anilino)-2-keto-ethyl] ester Formula: C38H37N3O6 MolecularWeight: 631.71688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC1=CC(=C(C=C1N2CCOCC2)OCC)NC(=O)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H37N3O6/c1-3-45-35-24-34(41-18-20-44-21-19-41)36(46-4-2)23-33(35)40-37(42)25-47-38(43)30-22-32(39-31-13-9-8-12-29(30)31)28-16-14-27(15-17-28)26-10-6-5-7-11-26/h5-17,22-24H,3-4,18-21,25H2,1-2H3,(H,40,42)