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

Systemtic Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2-phenyl-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2-phenyl-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2-phenyl-2H-pyrrol-4-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2-phenyl-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-5-phenyl-3-pyrrolin-3-yl]phenyl]propionic acid methyl ester hydrochloride Formula: C28H28ClN3O4 MolecularWeight: 505.99262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)OC.Cl

Isomeric SMILES

COC1=C(C(=O)N(C1C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N)C4=CC=C(C=C4)CCC(=O)OC.Cl

InChI

InChI=1S/C28H27N3O4.ClH/c1-34-23(32)17-10-18-8-11-19(12-9-18)24-26(35-2)25(20-6-4-3-5-7-20)31(28(24)33)22-15-13-21(14-16-22)27(29)30;/h3-9,11-16,25H,10,17H2,1-2H3,(H3,29,30);1H