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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N5O3/c1-3-30-21(28)17-6-8-18(9-7-17)25(2)22(29)27-14-12-26(13-15-27)19-10-4-16(5-11-19)20(23)24/h4-5,10-11,17-18H,3,6-9,12-15H2,1-2H3,(H3,23,24)