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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]-3-chloranyl-phenyl]propanoate Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-3-chloro-phenyl]propanoate CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-3-chlorophenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]-3-chlorophenyl]propanoate Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]-3-chloro-phenyl]propionic acid methyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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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=C(C=C(C=C3)CCC(=O)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4/c1-29-18-12-26(15-7-5-14(6-8-15)21(24)25)22(28)20(18)16-9-3-13(11-17(16)23)4-10-19(27)30-2/h3,5-9,11H,4,10,12H2,1-2H3,(H3,24,25)