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

Systemtic Name: methyl 4-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]butanoate Openeye Name: methyl 4-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]butanoate CAS Name: 4-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]butanoate Traditional Name: 4-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]butyric acid methyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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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)CCCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4/c1-29-19-14-26(18-12-10-17(11-13-18)22(24)25)23(28)21(19)16-8-6-15(7-9-16)4-3-5-20(27)30-2/h6-13H,3-5,14H2,1-2H3,(H3,24,25)