propan-2-yl 4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: propan-2-yl 4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: isopropyl 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperidinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperidine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid isopropyl ester Formula: C24H36N4O3 MolecularWeight: 428.56764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCC(CC1)N(C)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)OC(=O)C1CCC(CC1)N(C)C(=O)N2CCC(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C24H36N4O3/c1-16(2)31-23(29)20-8-10-21(11-9-20)27(3)24(30)28-14-12-18(13-15-28)17-4-6-19(7-5-17)22(25)26/h4-7,16,18,20-21H,8-15H2,1-3H3,(H3,25,26)