[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C30H27N3O4 MolecularWeight: 493.55308

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(C1)NC(=O)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H27N3O4/c34-28(33-30(36)31-23-10-4-5-11-23)19-37-29(35)25-18-27(32-26-13-7-6-12-24(25)26)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-3,6-9,12-18,23H,4-5,10-11,19H2,(H2,31,33,34,36)