methyl 2,4-bis(oxidanylidene)-4-[1-(phenylmethyl)indol-3-yl]butanoate

Systemtic Name: methyl 2,4-bis(oxidanylidene)-4-[1-(phenylmethyl)indol-3-yl]butanoate Openeye Name: methyl 4-(1-benzylindol-3-yl)-2,4-dioxo-butanoate CAS Name: 2,4-dioxo-4-[1-(phenylmethyl)-3-indolyl]butanoic acid methyl ester IUPAC Name: methyl 4-(1-benzylindol-3-yl)-2,4-dioxobutanoate Traditional Name: 4-(1-benzylindol-3-yl)-2,4-diketo-butyric acid methyl ester Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)CC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(=O)CC(=O)C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C20H17NO4/c1-25-20(24)19(23)11-18(22)16-13-21(12-14-7-3-2-4-8-14)17-10-6-5-9-15(16)17/h2-10,13H,11-12H2,1H3