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

Systemtic Name: methyl 4-[[4-(4-carbamimidoylphenyl)piperidin-1-yl]carbonyl-(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]-(2-morpholino-2-oxo-ethyl)amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-carbamimidoylphenyl)-1-piperidinyl]-oxomethyl]-[2-(4-morpholinyl)-2-oxoethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(4-carbamimidoylphenyl)piperidine-1-carbonyl]-(2-morpholin-4-yl-2-oxoethyl)amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-amidinophenyl)piperidine-1-carbonyl]-(2-keto-2-morpholino-ethyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C27H39N5O5 MolecularWeight: 513.62906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CC(=O)N2CCOCC2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C(=N)N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CC(=O)N2CCOCC2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C27H39N5O5/c1-36-26(34)22-6-8-23(9-7-22)32(18-24(33)30-14-16-37-17-15-30)27(35)31-12-10-20(11-13-31)19-2-4-21(5-3-19)25(28)29/h2-5,20,22-23H,6-18H2,1H3,(H3,28,29)