[2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate

Systemtic Name: [2-[[(2S)-1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl] 3-azanyl-4-chloranyl-benzoate Openeye Name: [2-[[(1S)-1-methoxycarbonyl-3-methyl-butyl]amino]-2-oxo-ethyl] 3-amino-4-chloro-benzoate CAS Name: 3-amino-4-chlorobenzoic acid [2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-amino-4-chlorobenzoate Traditional Name: 3-amino-4-chloro-benzoic acid [2-[[(1S)-1-carbomethoxy-3-methyl-butyl]amino]-2-keto-ethyl] ester Formula: C16H21ClN2O5 MolecularWeight: 356.80134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C1=CC(=C(C=C1)Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O5/c1-9(2)6-13(16(22)23-3)19-14(20)8-24-15(21)10-4-5-11(17)12(18)7-10/h4-5,7,9,13H,6,8,18H2,1-3H3,(H,19,20)/t13-/m0/s1