cyclopentyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: cyclopentyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: cyclopentyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid cyclopentyl ester IUPAC Name: cyclopentyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid cyclopentyl ester Formula: C25H37N5O3 MolecularWeight: 455.59298

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC2CCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC2CCCC2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H37N5O3/c1-28(20-10-8-19(9-11-20)24(31)33-22-4-2-3-5-22)25(32)30-16-14-29(15-17-30)21-12-6-18(7-13-21)23(26)27/h6-7,12-13,19-20,22H,2-5,8-11,14-17H2,1H3,(H3,26,27)