butyl 4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate

Systemtic Name: butyl 4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate Openeye Name: butyl 4-[benzyl-[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperidinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid butyl ester IUPAC Name: butyl 4-[benzyl-[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperidine-1-carbonyl]-benzyl-amino]cyclohexanecarboxylic acid butyl ester Formula: C31H42N4O3 MolecularWeight: 518.69018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CCCCOC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C31H42N4O3/c1-2-3-21-38-30(36)27-13-15-28(16-14-27)35(22-23-7-5-4-6-8-23)31(37)34-19-17-25(18-20-34)24-9-11-26(12-10-24)29(32)33/h4-12,25,27-28H,2-3,13-22H2,1H3,(H3,32,33)