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

Systemtic Name: 3-dodecanoyl-1-methyl-indole-2-carboxylic acid Openeye Name: 3-dodecanoyl-1-methyl-indole-2-carboxylic acid CAS Name: 1-methyl-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 3-dodecanoyl-1-methylindole-2-carboxylic acid Traditional Name: 3-lauroyl-1-methyl-indole-2-carboxylic acid Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3/c1-3-4-5-6-7-8-9-10-11-16-19(24)20-17-14-12-13-15-18(17)23(2)21(20)22(25)26/h12-15H,3-11,16H2,1-2H3,(H,25,26)