(4-methanoyl-2-methoxy-phenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate

Systemtic Name: (4-methanoyl-2-methoxy-phenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate Openeye Name: (4-formyl-2-methoxy-phenyl) 4-(guanidinomethyl)cyclohexanecarboxylate CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-formyl-2-methoxyphenyl) ester IUPAC Name: (4-formyl-2-methoxyphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-formyl-2-methoxy-phenyl) ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=O)OC(=O)C2CCC(CC2)CN=C(N)N

Isomeric SMILES

COC1=C(C=CC(=C1)C=O)OC(=O)C2CCC(CC2)CN=C(N)N

InChI

InChI=1S/C17H23N3O4/c1-23-15-8-12(10-21)4-7-14(15)24-16(22)13-5-2-11(3-6-13)9-20-17(18)19/h4,7-8,10-11,13H,2-3,5-6,9H2,1H3,(H4,18,19,20)