methyl (E)-3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]acrylic acid methyl ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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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)C=CC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-28-18-13-25(17-10-8-16(9-11-17)21(23)24)22(27)20(18)15-6-3-14(4-7-15)5-12-19(26)29-2/h3-12H,13H2,1-2H3,(H3,23,24)/b12-5+