[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(2-hydroxyethylamino)benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(2-hydroxyethylamino)benzoate CAS Name: 2-(2-hydroxyethylamino)benzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(2-hydroxyethylamino)benzoate Traditional Name: 2-(2-hydroxyethylamino)benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2NCCO

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=CC=CC=C2NCCO

InChI

InChI=1S/C18H26N2O4/c1-14(17(22)20-11-6-2-3-7-12-20)24-18(23)15-8-4-5-9-16(15)19-10-13-21/h4-5,8-9,14,19,21H,2-3,6-7,10-13H2,1H3/t14-/m1/s1