[2-[[(2R)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate

Systemtic Name: [2-[[(2R)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 2-cyclopropylquinoline-4-carboxylate Openeye Name: [2-[[(1R)-1-methoxycarbonyl-3-methyl-butyl]amino]-2-oxo-ethyl] 2-cyclopropylquinoline-4-carboxylate CAS Name: 2-cyclopropyl-4-quinolinecarboxylic acid [2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate Traditional Name: 2-cyclopropylcinchoninic acid [2-[[(1R)-1-carbomethoxy-3-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3CC3

InChI

InChI=1S/C22H26N2O5/c1-13(2)10-19(22(27)28-3)24-20(25)12-29-21(26)16-11-18(14-8-9-14)23-17-7-5-4-6-15(16)17/h4-7,11,13-14,19H,8-10,12H2,1-3H3,(H,24,25)/t19-/m1/s1