methyl 4-[2,3-bis(azanyl)-4-(4-methoxycarbonylphenyl)-4-oxidanylidene-butanoyl]benzoate

Systemtic Name: methyl 4-[2,3-bis(azanyl)-4-(4-methoxycarbonylphenyl)-4-oxidanylidene-butanoyl]benzoate Openeye Name: methyl 4-[2,3-diamino-4-(4-methoxycarbonylphenyl)-4-oxo-butanoyl]benzoate CAS Name: 4-[2,3-diamino-4-(4-methoxycarbonylphenyl)-1,4-dioxobutyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,3-diamino-4-(4-methoxycarbonylphenyl)-4-oxobutanoyl]benzoate Traditional Name: 4-[2,3-diamino-4-(4-carbomethoxyphenyl)-4-keto-butanoyl]benzoic acid methyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)C(C(C(=O)C2=CC=C(C=C2)C(=O)OC)N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)C(C(C(=O)C2=CC=C(C=C2)C(=O)OC)N)N

InChI

InChI=1S/C20H20N2O6/c1-27-19(25)13-7-3-11(4-8-13)17(23)15(21)16(22)18(24)12-5-9-14(10-6-12)20(26)28-2/h3-10,15-16H,21-22H2,1-2H3