4-[1-[(2-cyanophenyl)methyl]-2,3-dihydroindol-5-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[1-[(2-cyanophenyl)methyl]-2,3-dihydroindol-5-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[1-[(2-cyanophenyl)methyl]indolin-5-yl]-4-oxo-butanoate CAS Name: 4-[1-[(2-cyanophenyl)methyl]-2,3-dihydroindol-5-yl]-4-oxobutanoate IUPAC Name: 4-[1-[(2-cyanophenyl)methyl]-2,3-dihydroindol-5-yl]-4-oxobutanoate Traditional Name: 4-[1-(2-cyanobenzyl)indolin-5-yl]-4-keto-butyrate Formula: C20H17N2O3- MolecularWeight: 333.36058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C1C=C(C=C2)C(=O)CCC(=O)[O-])CC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(C2=C1C=C(C=C2)C(=O)CCC(=O)[O-])CC3=CC=CC=C3C#N

InChI

InChI=1S/C20H18N2O3/c21-12-16-3-1-2-4-17(16)13-22-10-9-14-11-15(5-6-18(14)22)19(23)7-8-20(24)25/h1-6,11H,7-10,13H2,(H,24,25)/p-1