cyclohexyl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate hydrochloride

Systemtic Name: cyclohexyl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate hydrochloride Openeye Name: cyclohexyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]-4-piperidyl]acetate hydrochloride CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid cyclohexyl ester hydrochloride IUPAC Name: cyclohexyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetate hydrochloride Traditional Name: 2-[1-[4-(4-amidinophenyl)benzoyl]-4-piperidyl]acetic acid cyclohexyl ester hydrochloride Formula: C27H34ClN3O3 MolecularWeight: 484.03016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C27H33N3O3.ClH/c28-26(29)22-10-6-20(7-11-22)21-8-12-23(13-9-21)27(32)30-16-14-19(15-17-30)18-25(31)33-24-4-2-1-3-5-24;/h6-13,19,24H,1-5,14-18H2,(H3,28,29);1H