[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] naphthalene-2-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] naphthalene-2-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] naphthalene-2-carboxylate CAS Name: 2-naphthalenecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] naphthalene-2-carboxylate Traditional Name: naphthalene-2-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO3 MolecularWeight: 325.40152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H23NO3/c1-15(19(22)21-12-6-2-3-7-13-21)24-20(23)18-11-10-16-8-4-5-9-17(16)14-18/h4-5,8-11,14-15H,2-3,6-7,12-13H2,1H3