[2-(cycloheptylamino)-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C18H23NO5 MolecularWeight: 333.37892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H23NO5/c20-17(19-13-7-3-1-2-4-8-13)12-23-18(21)16-11-22-14-9-5-6-10-15(14)24-16/h5-6,9-10,13,16H,1-4,7-8,11-12H2,(H,19,20)/t16-/m0/s1