propan-2-yl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: propan-2-yl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: isopropyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid isopropyl ester Formula: C22H33N5O3 MolecularWeight: 415.52912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)OC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H33N5O3/c1-15(2)30-21(28)17-3-7-18(8-4-17)25-22(29)27-13-11-26(12-14-27)19-9-5-16(6-10-19)20(23)24/h5-6,9-10,15,17-18H,3-4,7-8,11-14H2,1-2H3,(H3,23,24)(H,25,29)