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

Systemtic Name: methyl 4-[[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(cyclohexylamino)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[4-(cyclohexylcarbamoyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)NC3CCCCC3

InChI

InChI=1S/C21H31N3O3/c1-27-20(25)18-10-8-17(9-11-18)16-23-12-5-13-24(15-14-23)21(26)22-19-6-3-2-4-7-19/h8-11,19H,2-7,12-16H2,1H3,(H,22,26)