propan-2-yl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoate hydrochloride

Systemtic Name: propan-2-yl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoate hydrochloride Openeye Name: isopropyl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]cyclohexyl]propanoate hydrochloride CAS Name: 3-[4-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]cyclohexyl]propanoic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl 3-[4-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]cyclohexyl]propanoate hydrochloride Traditional Name: 3-[4-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]cyclohexyl]propionic acid isopropyl ester hydrochloride Formula: C22H33ClN4O3 MolecularWeight: 436.97542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1CCC(CC1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CC(C)OC(=O)CCC1CCC(CC1)N2CCN(C2=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C22H32N4O3.ClH/c1-15(2)29-20(27)12-5-16-3-8-18(9-4-16)25-13-14-26(22(25)28)19-10-6-17(7-11-19)21(23)24;/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H3,23,24);1H