[2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4)C(=O)N

InChI

InChI=1S/C21H23N3O4/c22-20(26)14-4-3-9-24(11-14)19(25)12-28-21(27)16-10-18(13-7-8-13)23-17-6-2-1-5-15(16)17/h1-2,5-6,10,13-14H,3-4,7-9,11-12H2,(H2,22,26)/t14-/m1/s1