[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 6-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6-methyl-2-phenyl-4-quinolinecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 6-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-methyl-2-phenyl-cinchoninic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)NC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O4/c1-18-12-13-23-21(14-18)22(15-24(29-23)20-10-6-3-7-11-20)26(32)34-17-25(31)30-27(33)28-16-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3,(H2,28,30,31,33)