[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-azanyl-3-methyl-benzoate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N)C(=O)OC(C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC=CC(=C1N)C(=O)O[C@H](C)C(=O)N2CCCCCC2

InChI

InChI=1S/C17H24N2O3/c1-12-8-7-9-14(15(12)18)17(21)22-13(2)16(20)19-10-5-3-4-6-11-19/h7-9,13H,3-6,10-11,18H2,1-2H3/t13-/m1/s1