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

Systemtic Name: methyl 2-azanyl-3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]phenyl]propanoate hydrochloride Openeye Name: methyl 2-amino-3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoate hydrochloride CAS Name: 2-amino-3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 2-amino-3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]phenyl]-2-amino-propionic acid methyl ester hydrochloride Formula: C22H25ClN4O4 MolecularWeight: 444.9113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4.ClH/c1-29-18-12-26(16-9-3-13(4-10-16)11-17(23)22(28)30-2)21(27)19(18)14-5-7-15(8-6-14)20(24)25;/h3-10,17H,11-12,23H2,1-2H3,(H3,24,25);1H