(phenylmethyl) (2E)-2-[1-(4-methylpent-4-en-2-ynyl)-2-oxidanylidene-indol-3-ylidene]ethanoate

Systemtic Name: (phenylmethyl) (2E)-2-[1-(4-methylpent-4-en-2-ynyl)-2-oxidanylidene-indol-3-ylidene]ethanoate Openeye Name: benzyl (2E)-2-[1-(4-methylpent-4-en-2-ynyl)-2-oxo-indolin-3-ylidene]acetate CAS Name: (2E)-2-[1-(4-methylpent-4-en-2-ynyl)-2-oxo-3-indolylidene]acetic acid (phenylmethyl) ester IUPAC Name: benzyl (2E)-2-[1-(4-methylpent-4-en-2-ynyl)-2-oxoindol-3-ylidene]acetate Traditional Name: (2E)-2-[2-keto-1-(4-methylpent-4-en-2-ynyl)indolin-3-ylidene]acetic acid benzyl ester Formula: C23H19NO3 MolecularWeight: 357.40186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C#CCN1C2=CC=CC=C2C(=CC(=O)OCC3=CC=CC=C3)C1=O

Isomeric SMILES

CC(=C)C#CCN1C2=CC=CC=C2/C(=C\C(=O)OCC3=CC=CC=C3)/C1=O

InChI

InChI=1S/C23H19NO3/c1-17(2)9-8-14-24-21-13-7-6-12-19(21)20(23(24)26)15-22(25)27-16-18-10-4-3-5-11-18/h3-7,10-13,15H,1,14,16H2,2H3/b20-15+