methyl 2-[4-(aminomethyl)-4-carbamimidoyl-cyclohexyl]carbonyloxybenzoate

Systemtic Name: methyl 2-[4-(aminomethyl)-4-carbamimidoyl-cyclohexyl]carbonyloxybenzoate Openeye Name: methyl 2-[4-(aminomethyl)-4-carbamimidoyl-cyclohexanecarbonyl]oxybenzoate CAS Name: 2-[[4-(aminomethyl)-4-carbamimidoylcyclohexyl]-oxomethoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(aminomethyl)-4-carbamimidoylcyclohexanecarbonyl]oxybenzoate Traditional Name: 2-[4-amidino-4-(aminomethyl)cyclohexanecarbonyl]oxybenzoic acid methyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1OC(=O)C2CCC(CC2)(CN)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1OC(=O)C2CCC(CC2)(CN)C(=N)N

InChI

InChI=1S/C17H23N3O4/c1-23-15(22)12-4-2-3-5-13(12)24-14(21)11-6-8-17(10-18,9-7-11)16(19)20/h2-5,11H,6-10,18H2,1H3,(H3,19,20)