methyl 4-azanyl-3-[2-[2-[(2-azanyl-5-methoxycarbonyl-phenyl)amino]-2-oxidanylidene-ethoxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-azanyl-3-[2-[2-[(2-azanyl-5-methoxycarbonyl-phenyl)amino]-2-oxidanylidene-ethoxy]ethanoylamino]benzoate Openeye Name: methyl 4-amino-3-[[2-[2-(2-amino-5-methoxycarbonyl-anilino)-2-oxo-ethoxy]acetyl]amino]benzoate CAS Name: 4-amino-3-[[2-[2-(2-amino-5-methoxycarbonylanilino)-2-oxoethoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-amino-3-[[2-[2-(2-amino-5-methoxycarbonylanilino)-2-oxoethoxy]acetyl]amino]benzoate Traditional Name: 4-amino-3-[[2-[2-(2-amino-5-carbomethoxy-anilino)-2-keto-ethoxy]acetyl]amino]benzoic acid methyl ester Formula: C20H22N4O7 MolecularWeight: 430.41128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N)NC(=O)COCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N)NC(=O)COCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N

InChI

InChI=1S/C20H22N4O7/c1-29-19(27)11-3-5-13(21)15(7-11)23-17(25)9-31-10-18(26)24-16-8-12(20(28)30-2)4-6-14(16)22/h3-8H,9-10,21-22H2,1-2H3,(H,23,25)(H,24,26)