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

Systemtic Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-1-yl]cyclohexyl]propanoate hydrochloride Openeye Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]cyclohexyl]propanoate hydrochloride CAS Name: 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]cyclohexyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[4-[4-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-1-yl]cyclohexyl]propanoate hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-1-yl]cyclohexyl]propionic acid methyl ester hydrochloride Formula: C22H30ClN3O4 MolecularWeight: 435.9443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4.ClH/c1-28-18-13-25(17-10-3-14(4-11-17)5-12-19(26)29-2)22(27)20(18)15-6-8-16(9-7-15)21(23)24;/h6-9,14,17H,3-5,10-13H2,1-2H3,(H3,23,24);1H