[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 2-phenylquinoline-4-carboxylate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4/c29-23(28-25(31)26-18-11-5-2-6-12-18)16-32-24(30)20-15-22(17-9-3-1-4-10-17)27-21-14-8-7-13-19(20)21/h1,3-4,7-10,13-15,18H,2,5-6,11-12,16H2,(H2,26,28,29,31)