3-(2-methylpropanoyl)-2-propyl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid

Systemtic Name: 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid Openeye Name: 3-(2-methylpropanoyl)-2-propyl-1-(3-pyridylmethyl)indole-6-carboxylic acid CAS Name: 3-(2-methyl-1-oxopropyl)-2-propyl-1-(3-pyridinylmethyl)-6-indolecarboxylic acid IUPAC Name: 3-(2-methylpropanoyl)-2-propyl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid Traditional Name: 3-isobutyryl-2-propyl-1-(3-pyridylmethyl)indole-6-carboxylic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CN=CC=C3)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CN=CC=C3)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C22H24N2O3/c1-4-6-18-20(21(25)14(2)3)17-9-8-16(22(26)27)11-19(17)24(18)13-15-7-5-10-23-12-15/h5,7-12,14H,4,6,13H2,1-3H3,(H,26,27)