methyl 4-[[2-(azepan-1-yl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(azepan-1-yl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(azepan-1-yl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(1-azepanyl)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(azepan-1-yl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(azepan-1-yl)acetyl]amino]methyl]benzoic acid methyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CN2CCCCCC2

InChI

InChI=1S/C17H24N2O3/c1-22-17(21)15-8-6-14(7-9-15)12-18-16(20)13-19-10-4-2-3-5-11-19/h6-9H,2-5,10-13H2,1H3,(H,18,20)