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

Systemtic Name: 3-dodecanoyl-1-[[3-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-dodecanoyl-1-[[3-[(E)-3-ethoxy-3-oxo-prop-1-enyl]phenyl]methyl]indole-2-carboxylic acid CAS Name: 1-[[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 3-dodecanoyl-1-[[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]methyl]indole-2-carboxylic acid Traditional Name: 1-[3-[(E)-3-ethoxy-3-keto-prop-1-enyl]benzyl]-3-lauroyl-indole-2-carboxylic acid Formula: C33H41NO5 MolecularWeight: 531.68234

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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)OCC)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C33H41NO5/c1-3-5-6-7-8-9-10-11-12-20-29(35)31-27-18-13-14-19-28(27)34(32(31)33(37)38)24-26-17-15-16-25(23-26)21-22-30(36)39-4-2/h13-19,21-23H,3-12,20,24H2,1-2H3,(H,37,38)/b22-21+