[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Openeye Name: [2-(2,6-diethylanilino)-2-oxo-ethyl] 2-(4-benzyloxyphenyl)-3-methyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid [2-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] 3-methyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-benzoxyphenyl)-3-methyl-cinchoninic acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C36H34N2O4 MolecularWeight: 558.66616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C36H34N2O4/c1-4-26-14-11-15-27(5-2)35(26)38-32(39)23-42-36(40)33-24(3)34(37-31-17-10-9-16-30(31)33)28-18-20-29(21-19-28)41-22-25-12-7-6-8-13-25/h6-21H,4-5,22-23H2,1-3H3,(H,38,39)