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

Systemtic Name: cyclohexyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxidanylidene-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Openeye Name: cyclohexyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoic acid cyclohexyl ester hydrochloride IUPAC Name: cyclohexyl 3-[4-[1-(4-carbamimidoylphenyl)-3-methoxy-5-oxo-2H-pyrrol-4-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[1-(4-amidinophenyl)-2-keto-4-methoxy-3-pyrrolin-3-yl]phenyl]propionic acid cyclohexyl ester hydrochloride Formula: C27H32ClN3O4 MolecularWeight: 498.01368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC4CCCCC4.Cl

Isomeric SMILES

COC1=C(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)CCC(=O)OC4CCCCC4.Cl

InChI

InChI=1S/C27H31N3O4.ClH/c1-33-23-17-30(21-14-12-20(13-15-21)26(28)29)27(32)25(23)19-10-7-18(8-11-19)9-16-24(31)34-22-5-3-2-4-6-22;/h7-8,10-15,22H,2-6,9,16-17H2,1H3,(H3,28,29);1H