3-dodecanoyl-5-methoxy-1-methyl-indole-2-carboxylic acid

Systemtic Name: 3-dodecanoyl-5-methoxy-1-methyl-indole-2-carboxylic acid Openeye Name: 3-dodecanoyl-5-methoxy-1-methyl-indole-2-carboxylic acid CAS Name: 5-methoxy-1-methyl-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 3-dodecanoyl-5-methoxy-1-methylindole-2-carboxylic acid Traditional Name: 3-lauroyl-5-methoxy-1-methyl-indole-2-carboxylic acid Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=C1C=C(C=C2)OC)C)C(=O)O

InChI

InChI=1S/C23H33NO4/c1-4-5-6-7-8-9-10-11-12-13-20(25)21-18-16-17(28-3)14-15-19(18)24(2)22(21)23(26)27/h14-16H,4-13H2,1-3H3,(H,26,27)