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

Systemtic Name: 1-ethoxycarbonyloxyethyl 4-[[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: 1-ethoxycarbonyloxyethyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid 1-ethoxycarbonyloxyethyl ester IUPAC Name: 1-ethoxycarbonyloxyethyl 4-[[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid 1-carbethoxyoxyethyl ester Formula: C24H35N5O6 MolecularWeight: 489.5646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N5O6/c1-3-33-24(32)35-16(2)34-22(30)18-4-8-19(9-5-18)27-23(31)29-14-12-28(13-15-29)20-10-6-17(7-11-20)21(25)26/h6-7,10-11,16,18-19H,3-5,8-9,12-15H2,1-2H3,(H3,25,26)(H,27,31)