methyl 4-[2-(aminomethyl)-2-azanyl-3-(4-methoxycarbonylphenyl)-3-oxidanylidene-propanoyl]benzoate

Systemtic Name: methyl 4-[2-(aminomethyl)-2-azanyl-3-(4-methoxycarbonylphenyl)-3-oxidanylidene-propanoyl]benzoate Openeye Name: methyl 4-[2-amino-2-(aminomethyl)-3-(4-methoxycarbonylphenyl)-3-oxo-propanoyl]benzoate CAS Name: 4-[2-amino-2-(aminomethyl)-3-(4-methoxycarbonylphenyl)-1,3-dioxopropyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-amino-2-(aminomethyl)-3-(4-methoxycarbonylphenyl)-3-oxopropanoyl]benzoate Traditional Name: 4-[2-amino-2-(aminomethyl)-3-(4-carbomethoxyphenyl)-3-keto-propanoyl]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(CN)(C(=O)C2=CC=C(C=C2)C(=O)OC)N

Isomeric SMILES

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

InChI

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