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

Systemtic Name: methyl (E)-4-[1-methyl-2-(phenylmethyl)indol-3-yl]-4-oxidanyl-2-oxidanylidene-but-3-enoate Openeye Name: methyl (E)-4-(2-benzyl-1-methyl-indol-3-yl)-4-hydroxy-2-oxo-but-3-enoate CAS Name: (E)-4-hydroxy-4-[1-methyl-2-(phenylmethyl)-3-indolyl]-2-oxo-3-butenoic acid methyl ester IUPAC Name: methyl (E)-4-(2-benzyl-1-methylindol-3-yl)-4-hydroxy-2-oxobut-3-enoate Traditional Name: (E)-4-(2-benzyl-1-methyl-indol-3-yl)-4-hydroxy-2-keto-but-3-enoic acid methyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1CC3=CC=CC=C3)C(=CC(=O)C(=O)OC)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1CC3=CC=CC=C3)/C(=C\C(=O)C(=O)OC)/O

InChI

InChI=1S/C21H19NO4/c1-22-16-11-7-6-10-15(16)20(18(23)13-19(24)21(25)26-2)17(22)12-14-8-4-3-5-9-14/h3-11,13,23H,12H2,1-2H3/b18-13+