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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-azanyl-3-methyl-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-amino-3-methyl-benzoate CAS Name: 2-amino-3-methylbenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-amino-3-methylbenzoate Traditional Name: 2-amino-3-methyl-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H22N2O3 MolecularWeight: 290.35748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-12-7-6-8-13(15(12)17)16(20)21-11-14(19)18-9-4-2-3-5-10-18/h6-8H,2-5,9-11,17H2,1H3