3-dodecanoyl-4-[[3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-dodecanoyl-4-[[3-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenyl]methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-dodecanoyl-4-[[3-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenyl]methyl]-1H-indole-2-carboxylic acid CAS Name: 4-[[3-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]methyl]-3-(1-oxododecyl)-1H-indole-2-carboxylic acid IUPAC Name: 3-dodecanoyl-4-[[3-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenyl]methyl]-1H-indole-2-carboxylic acid Traditional Name: 4-[3-[(E)-3-hydroxy-3-keto-prop-1-enyl]benzyl]-3-lauroyl-1H-indole-2-carboxylic acid Formula: C31H37NO5 MolecularWeight: 503.62918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37NO5/c1-2-3-4-5-6-7-8-9-10-17-26(33)29-28-24(15-12-16-25(28)32-30(29)31(36)37)21-23-14-11-13-22(20-23)18-19-27(34)35/h11-16,18-20,32H,2-10,17,21H2,1H3,(H,34,35)(H,36,37)/b19-18+