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

Systemtic Name: cycloheptyl 2-[1-[4-(4-carbamimidoylphenyl)phenyl]carbonylpiperidin-4-yl]ethanoate hydrochloride Openeye Name: cycloheptyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]-4-piperidyl]acetate hydrochloride CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]-oxomethyl]-4-piperidinyl]acetic acid cycloheptyl ester hydrochloride IUPAC Name: cycloheptyl 2-[1-[4-(4-carbamimidoylphenyl)benzoyl]piperidin-4-yl]acetate hydrochloride Traditional Name: 2-[1-[4-(4-amidinophenyl)benzoyl]-4-piperidyl]acetic acid cycloheptyl ester hydrochloride Formula: C28H36ClN3O3 MolecularWeight: 498.05674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)OC(=O)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

C1CCCC(CC1)OC(=O)CC2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C28H35N3O3.ClH/c29-27(30)23-11-7-21(8-12-23)22-9-13-24(14-10-22)28(33)31-17-15-20(16-18-31)19-26(32)34-25-5-3-1-2-4-6-25;/h7-14,20,25H,1-6,15-19H2,(H3,29,30);1H