methyl 2-[[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]amino]ethanoate

Systemtic Name: methyl 2-[[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]amino]ethanoate Openeye Name: methyl 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]anilino]acetate CAS Name: 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]anilino]acetic acid methyl ester IUPAC Name: methyl 2-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]anilino]acetate Traditional Name: 2-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]anilino]acetic acid methyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)NCC(=O)OC

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)NCC(=O)OC

InChI

InChI=1S/C21H22N4O4/c1-28-17-12-25(16-9-5-14(6-10-16)20(22)23)21(27)19(17)13-3-7-15(8-4-13)24-11-18(26)29-2/h3-10,24H,11-12H2,1-2H3,(H3,22,23)