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

Systemtic Name: cyclooctyl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate hydrochloride Openeye Name: cyclooctyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]-4-piperidyl]acetate hydrochloride CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid cyclooctyl ester hydrochloride IUPAC Name: cyclooctyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetate hydrochloride Traditional Name: 2-[1-[4-(4-amidinophenyl)benzoyl]-4-piperidyl]acetic acid cyclooctyl ester hydrochloride Formula: C29H38ClN3O3 MolecularWeight: 512.08332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)OC(=O)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

C1CCCC(CCC1)OC(=O)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C29H37N3O3.ClH/c30-28(31)24-12-8-22(9-13-24)23-10-14-25(15-11-23)29(34)32-18-16-21(17-19-32)20-27(33)35-26-6-4-2-1-3-5-7-26;/h8-15,21,26H,1-7,16-20H2,(H3,30,31);1H