propan-2-yl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate

Systemtic Name: propan-2-yl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate Openeye Name: isopropyl 4-[benzyl-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[benzyl-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]-benzyl-amino]cyclohexanecarboxylic acid isopropyl ester Formula: C29H39N5O3 MolecularWeight: 505.65166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(C)OC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H39N5O3/c1-21(2)37-28(35)24-10-14-26(15-11-24)34(20-22-6-4-3-5-7-22)29(36)33-18-16-32(17-19-33)25-12-8-23(9-13-25)27(30)31/h3-9,12-13,21,24,26H,10-11,14-20H2,1-2H3,(H3,30,31)