(3-methoxyphenyl) 2-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoate

Systemtic Name: (3-methoxyphenyl) 2-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoate Openeye Name: (3-methoxyphenyl) 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate CAS Name: 2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethoxy]benzoic acid (3-methoxyphenyl) ester IUPAC Name: (3-methoxyphenyl) 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate Traditional Name: 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoic acid (3-methoxyphenyl) ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)OC(=O)C2=CC=CC=C2OC(=O)C3CCC(CC3)CN=C(N)N

Isomeric SMILES

COC1=CC=CC(=C1)OC(=O)C2=CC=CC=C2OC(=O)C3CCC(CC3)CN=C(N)N

InChI

InChI=1S/C23H27N3O5/c1-29-17-5-4-6-18(13-17)30-22(28)19-7-2-3-8-20(19)31-21(27)16-11-9-15(10-12-16)14-26-23(24)25/h2-8,13,15-16H,9-12,14H2,1H3,(H4,24,25,26)