methyl (E)-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-hex-4-enoate

Systemtic Name: methyl (E)-2-(1H-indol-3-ylmethyl)-3-oxidanylidene-hex-4-enoate Openeye Name: methyl (E)-2-(1H-indol-3-ylmethyl)-3-oxo-hex-4-enoate CAS Name: (E)-2-(1H-indol-3-ylmethyl)-3-oxo-4-hexenoic acid methyl ester IUPAC Name: methyl (E)-2-(1H-indol-3-ylmethyl)-3-oxohex-4-enoate Traditional Name: (E)-2-(1H-indol-3-ylmethyl)-3-keto-hex-4-enoic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C(CC1=CNC2=CC=CC=C21)C(=O)OC

Isomeric SMILES

C/C=C/C(=O)C(CC1=CNC2=CC=CC=C21)C(=O)OC

InChI

InChI=1S/C16H17NO3/c1-3-6-15(18)13(16(19)20-2)9-11-10-17-14-8-5-4-7-12(11)14/h3-8,10,13,17H,9H2,1-2H3/b6-3+