3-[(4-chlorophenyl)methoxycarbonylamino]-4-[(1-methoxy-1-oxidanylidene-propan-2-yl)-phenyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(4-chlorophenyl)methoxycarbonylamino]-4-[(1-methoxy-1-oxidanylidene-propan-2-yl)-phenyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(4-chlorophenyl)methoxycarbonylamino]-4-(N-(2-methoxy-1-methyl-2-oxo-ethyl)anilino)-4-oxo-butanoic acid CAS Name: 3-[[(4-chlorophenyl)methoxy-oxomethyl]amino]-4-(N-(1-methoxy-1-oxopropan-2-yl)anilino)-4-oxobutanoic acid IUPAC Name: 3-[(4-chlorophenyl)methoxycarbonylamino]-4-(N-(1-methoxy-1-oxopropan-2-yl)anilino)-4-oxobutanoic acid Traditional Name: 3-[(4-chlorobenzyl)oxycarbonylamino]-4-keto-4-(N-(2-keto-2-methoxy-1-methyl-ethyl)anilino)butyric acid Formula: C22H23ClN2O7 MolecularWeight: 462.88022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=O)OCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=O)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H23ClN2O7/c1-14(21(29)31-2)25(17-6-4-3-5-7-17)20(28)18(12-19(26)27)24-22(30)32-13-15-8-10-16(23)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,24,30)(H,26,27)