[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] indane-5-carboxylate CAS Name: 2,3-dihydro-1H-indene-5-carboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate Traditional Name: indane-5-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC3=C(CCC3)C=C2

Isomeric SMILES

CC(C(=O)N(CCC#N)C1=CC=CC=C1)OC(=O)C2=CC3=C(CCC3)C=C2

InChI

InChI=1S/C22H22N2O3/c1-16(21(25)24(14-6-13-23)20-9-3-2-4-10-20)27-22(26)19-12-11-17-7-5-8-18(17)15-19/h2-4,9-12,15-16H,5-8,14H2,1H3