(2-cyanophenyl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-cyanophenyl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxidanylidene-butanoate Openeye Name: (2-cyanophenyl)methyl 4-indan-5-yl-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate Traditional Name: 4-indan-5-yl-4-keto-butyric acid (2-cyanobenzyl) ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)C(=O)CCC(=O)OCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H19NO3/c22-13-18-4-1-2-5-19(18)14-25-21(24)11-10-20(23)17-9-8-15-6-3-7-16(15)12-17/h1-2,4-5,8-9,12H,3,6-7,10-11,14H2