methyl 4-[(4-carbamimidoyl-1,4-diazepan-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-carbamimidoyl-1,4-diazepan-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-carbamimidoyl-1,4-diazepan-1-yl)methyl]benzoate CAS Name: 4-[(4-carbamimidoyl-1,4-diazepan-1-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-carbamimidoyl-1,4-diazepan-1-yl)methyl]benzoate Traditional Name: 4-[(4-amidino-1,4-diazepan-1-yl)methyl]benzoic acid methyl ester Formula: C15H22N4O2 MolecularWeight: 290.36078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=N)N

InChI

InChI=1S/C15H22N4O2/c1-21-14(20)13-5-3-12(4-6-13)11-18-7-2-8-19(10-9-18)15(16)17/h3-6H,2,7-11H2,1H3,(H3,16,17)