2-(1-phenylethylamino)cycloheptene-1-carboxylate

Systemtic Name: 2-(1-phenylethylamino)cycloheptene-1-carboxylate Openeye Name: 2-(1-phenylethylamino)cycloheptene-1-carboxylate CAS Name: 2-(1-phenylethylamino)-1-cycloheptenecarboxylate IUPAC Name: 2-(1-phenylethylamino)cycloheptene-1-carboxylate Traditional Name: 2-(1-phenylethylamino)cycloheptene-1-carboxylate Formula: C16H20NO2- MolecularWeight: 258.3355

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2=C(CCCCC2)C(=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC2=C(CCCCC2)C(=O)[O-]

InChI

InChI=1S/C16H21NO2/c1-12(13-8-4-2-5-9-13)17-15-11-7-3-6-10-14(15)16(18)19/h2,4-5,8-9,12,17H,3,6-7,10-11H2,1H3,(H,18,19)/p-1