methyl (Z)-4-oxidanyl-2-oxidanylidene-4-[2-(phenylmethyl)-1H-indol-3-yl]but-3-enoate

Systemtic Name: methyl (Z)-4-oxidanyl-2-oxidanylidene-4-[2-(phenylmethyl)-1H-indol-3-yl]but-3-enoate Openeye Name: methyl (Z)-4-(2-benzyl-1H-indol-3-yl)-4-hydroxy-2-oxo-but-3-enoate CAS Name: (Z)-4-hydroxy-2-oxo-4-[2-(phenylmethyl)-1H-indol-3-yl]-3-butenoic acid methyl ester IUPAC Name: methyl (Z)-4-(2-benzyl-1H-indol-3-yl)-4-hydroxy-2-oxobut-3-enoate Traditional Name: (Z)-4-(2-benzyl-1H-indol-3-yl)-4-hydroxy-2-keto-but-3-enoic acid methyl ester Formula: C20H17NO4 MolecularWeight: 335.35328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C=C(C1=C(NC2=CC=CC=C21)CC3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C(=O)/C=C(/C1=C(NC2=CC=CC=C21)CC3=CC=CC=C3)\O

InChI

InChI=1S/C20H17NO4/c1-25-20(24)18(23)12-17(22)19-14-9-5-6-10-15(14)21-16(19)11-13-7-3-2-4-8-13/h2-10,12,21-22H,11H2,1H3/b17-12-