[(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [(1R)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [(2R)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [(1R)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)O[C@H](C)C(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C20H23N3O4/c1-12-11-16(15-9-5-6-10-17(15)21-12)19(25)27-13(2)18(24)23-20(26)22-14-7-3-4-8-14/h5-6,9-11,13-14H,3-4,7-8H2,1-2H3,(H2,22,23,24,26)/t13-/m1/s1