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

Systemtic Name: methyl 2-[3-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenoxy]ethanoate Openeye Name: methyl 2-[3-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenoxy]acetate CAS Name: 2-[3-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenoxy]acetate Traditional Name: 2-[3-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenoxy]acetic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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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(=CC=C3)OCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-27-17-11-24(15-8-6-13(7-9-15)20(22)23)21(26)19(17)14-4-3-5-16(10-14)29-12-18(25)28-2/h3-10H,11-12H2,1-2H3,(H3,22,23)