[1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 3-cyanobenzoate

Systemtic Name: [1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 3-cyanobenzoate Openeye Name: [1-methyl-2-oxo-2-(tetralin-1-ylamino)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-1-methyl-2-(tetralin-1-ylamino)ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C21H20N2O3/c1-14(26-21(25)17-9-4-6-15(12-17)13-22)20(24)23-19-11-5-8-16-7-2-3-10-18(16)19/h2-4,6-7,9-10,12,14,19H,5,8,11H2,1H3,(H,23,24)