3-methyl-1-(4-phenylbutyl)indole-5-carboxylic acid

Systemtic Name: 3-methyl-1-(4-phenylbutyl)indole-5-carboxylic acid Openeye Name: 3-methyl-1-(4-phenylbutyl)indole-5-carboxylic acid CAS Name: 3-methyl-1-(4-phenylbutyl)-5-indolecarboxylic acid IUPAC Name: 3-methyl-1-(4-phenylbutyl)indole-5-carboxylic acid Traditional Name: 3-methyl-1-(4-phenylbutyl)indole-5-carboxylic acid Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=C(C=C2)C(=O)O)CCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CN(C2=C1C=C(C=C2)C(=O)O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO2/c1-15-14-21(12-6-5-9-16-7-3-2-4-8-16)19-11-10-17(20(22)23)13-18(15)19/h2-4,7-8,10-11,13-14H,5-6,9,12H2,1H3,(H,22,23)