cyclohexyl 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]piperidin-4-yl]ethanoate

Systemtic Name: cyclohexyl 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]piperidin-4-yl]ethanoate Openeye Name: cyclohexyl 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]-4-piperidyl]acetate CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]-4-piperidinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[1-[[4-(4-carbamimidoylphenyl)phenyl]methyl]piperidin-4-yl]acetate Traditional Name: 2-[1-[4-(4-amidinophenyl)benzyl]-4-piperidyl]acetic acid cyclohexyl ester Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2CCN(CC2)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2CCN(CC2)CC3=CC=C(C=C3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H35N3O2/c28-27(29)24-12-10-23(11-13-24)22-8-6-21(7-9-22)19-30-16-14-20(15-17-30)18-26(31)32-25-4-2-1-3-5-25/h6-13,20,25H,1-5,14-19H2,(H3,28,29)