[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-(dimethylamino)benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-(dimethylamino)benzoate CAS Name: 4-(dimethylamino)benzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-(dimethylamino)benzoate Traditional Name: 4-(dimethylamino)benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C17H24N2O3/c1-18(2)15-9-7-14(8-10-15)17(21)22-13-16(20)19-11-5-3-4-6-12-19/h7-10H,3-6,11-13H2,1-2H3