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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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