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

Systemtic Name: [2-[(3R)-3-aminocarbonylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-chloranylquinoline-4-carboxylate Openeye Name: [2-[(3R)-3-carbamoyl-1-piperidyl]-2-oxo-ethyl] 2-chloroquinoline-4-carboxylate CAS Name: 2-chloro-4-quinolinecarboxylic acid [2-[(3R)-3-carbamoyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate Traditional Name: 2-chlorocinchoninic acid [2-[(3R)-3-carbamoylpiperidino]-2-keto-ethyl] ester Formula: C18H18ClN3O4 MolecularWeight: 375.80622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O4/c19-15-8-13(12-5-1-2-6-14(12)21-15)18(25)26-10-16(23)22-7-3-4-11(9-22)17(20)24/h1-2,5-6,8,11H,3-4,7,9-10H2,(H2,20,24)/t11-/m1/s1