1-[(2-methylphenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 3-(2-methylpropanoyl)-1-(o-tolylmethyl)-2-propyl-indole-6-carboxylic acid CAS Name: 3-(2-methyl-1-oxopropyl)-1-[(2-methylphenyl)methyl]-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylic acid Traditional Name: 3-isobutyryl-1-(2-methylbenzyl)-2-propyl-indole-6-carboxylic acid Formula: C24H27NO3 MolecularWeight: 377.47608

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3C)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3C)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C24H27NO3/c1-5-8-20-22(23(26)15(2)3)19-12-11-17(24(27)28)13-21(19)25(20)14-18-10-7-6-9-16(18)4/h6-7,9-13,15H,5,8,14H2,1-4H3,(H,27,28)