methyl 2-[4-(aminomethyl)cyclohexyl]carbonyloxy-5-carbamimidoyl-benzoate

Systemtic Name: methyl 2-[4-(aminomethyl)cyclohexyl]carbonyloxy-5-carbamimidoyl-benzoate Openeye Name: methyl 2-[4-(aminomethyl)cyclohexanecarbonyl]oxy-5-carbamimidoyl-benzoate CAS Name: 2-[[4-(aminomethyl)cyclohexyl]-oxomethoxy]-5-carbamimidoylbenzoic acid methyl ester IUPAC Name: methyl 2-[4-(aminomethyl)cyclohexanecarbonyl]oxy-5-carbamimidoylbenzoate Traditional Name: 5-amidino-2-[4-(aminomethyl)cyclohexanecarbonyl]oxy-benzoic acid methyl ester Formula: C17H23N3O4 MolecularWeight: 333.38222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4/c1-23-17(22)13-8-12(15(19)20)6-7-14(13)24-16(21)11-4-2-10(9-18)3-5-11/h6-8,10-11H,2-5,9,18H2,1H3,(H3,19,20)