[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C19H27ClN2O6 MolecularWeight: 414.88048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)C1=CC(=C(C(=C1)Cl)OCC(C)C)OC

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)C1=CC(=C(C(=C1)Cl)OCC(C)C)OC

InChI

InChI=1S/C19H27ClN2O6/c1-6-12(4)21-19(25)22-16(23)10-28-18(24)13-7-14(20)17(15(8-13)26-5)27-9-11(2)3/h7-8,11-12H,6,9-10H2,1-5H3,(H2,21,22,23,25)/t12-/m0/s1