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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)/C=C/C(=O)O)C(=O)O

InChI

InChI=1S/C31H37NO5/c1-2-3-4-5-6-7-8-9-10-18-27(33)29-25-16-11-12-17-26(25)32(30(29)31(36)37)22-24-15-13-14-23(21-24)19-20-28(34)35/h11-17,19-21H,2-10,18,22H2,1H3,(H,34,35)(H,36,37)/b20-19+