[(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: [(2S)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: [(1S)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid [(1S)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C28H26N2O6 MolecularWeight: 486.51584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1OC)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H26N2O6/c1-17(27(31)30-22-11-7-8-12-24(22)33-2)36-28(32)20-16-23(29-21-10-6-5-9-19(20)21)18-13-14-25(34-3)26(15-18)35-4/h5-17H,1-4H3,(H,30,31)/t17-/m0/s1