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

Systemtic Name: 1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid CAS Name: 1-[(2-cyanophenyl)methyl]-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(2-cyanophenyl)methyl]-3-(2-methylpropanoyl)-2-propylindole-6-carboxylic acid Traditional Name: 1-(2-cyanobenzyl)-3-isobutyryl-2-propyl-indole-6-carboxylic acid Formula: C24H24N2O3 MolecularWeight: 388.45896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O3/c1-4-7-20-22(23(27)15(2)3)19-11-10-16(24(28)29)12-21(19)26(20)14-18-9-6-5-8-17(18)13-25/h5-6,8-12,15H,4,7,14H2,1-3H3,(H,28,29)