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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

Isomeric SMILES

C1CCN([C@H](C1)C(=O)N)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4CC4

InChI

InChI=1S/C21H23N3O4/c22-20(26)18-7-3-4-10-24(18)19(25)12-28-21(27)15-11-17(13-8-9-13)23-16-6-2-1-5-14(15)16/h1-2,5-6,11,13,18H,3-4,7-10,12H2,(H2,22,26)/t18-/m1/s1