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

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3-chloro-4-isopentyloxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(3-methylbutoxy)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-(3-methylbutoxy)benzoate Traditional Name: 3-chloro-4-isoamoxy-5-methoxy-benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C20H29ClN2O6 MolecularWeight: 428.90706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN2O6/c1-6-13(4)22-20(26)23-17(24)11-29-19(25)14-9-15(21)18(16(10-14)27-5)28-8-7-12(2)3/h9-10,12-13H,6-8,11H2,1-5H3,(H2,22,23,24,26)/t13-/m0/s1