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

Systemtic Name: 3-dodecanoyl-1-methyl-5-oxidanyl-indole-2-carboxylic acid Openeye Name: 3-dodecanoyl-5-hydroxy-1-methyl-indole-2-carboxylic acid CAS Name: 5-hydroxy-1-methyl-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 3-dodecanoyl-5-hydroxy-1-methylindole-2-carboxylic acid Traditional Name: 5-hydroxy-3-lauroyl-1-methyl-indole-2-carboxylic acid Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO4/c1-3-4-5-6-7-8-9-10-11-12-19(25)20-17-15-16(24)13-14-18(17)23(2)21(20)22(26)27/h13-15,24H,3-12H2,1-2H3,(H,26,27)