[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[[(2S,3R)-1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[[(1S,2R)-1-methoxycarbonyl-2-methyl-butyl]amino]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[[(1S,2R)-1-carbomethoxy-2-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)NC(C(C)CC)C(=O)OC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)N[C@@H]([C@H](C)CC)C(=O)OC

InChI

InChI=1S/C22H28N2O5/c1-6-13(3)20(22(27)28-5)24-18(25)12-29-21(26)19-14(4)16(7-2)23-17-11-9-8-10-15(17)19/h8-11,13,20H,6-7,12H2,1-5H3,(H,24,25)/t13-,20+/m1/s1