3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]cyclohexyl]propanoic acid hydrochloride

Systemtic Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]cyclohexyl]propanoic acid hydrochloride Openeye Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]cyclohexyl]propanoic acid hydrochloride CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]cyclohexyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]cyclohexyl]propanoic acid hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]cyclohexyl]propionic acid hydrochloride Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2CCC(CC2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC1=C(C(=O)N(C1)C2CCC(CC2)CCC(=O)O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C21H27N3O4.ClH/c1-28-17-12-24(16-9-2-13(3-10-16)4-11-18(25)26)21(27)19(17)14-5-7-15(8-6-14)20(22)23;/h5-8,13,16H,2-4,9-12H2,1H3,(H3,22,23)(H,25,26);1H