3,5-dimethyl-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3,5-dimethyl-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3,5-dimethyl-indole-2-carboxylic acid CAS Name: 3,5-dimethyl-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3,5-dimethylindole-2-carboxylic acid Traditional Name: 1-benzyl-3,5-dimethyl-indole-2-carboxylic acid Formula: C18H17NO2 MolecularWeight: 279.33308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C18H17NO2/c1-12-8-9-16-15(10-12)13(2)17(18(20)21)19(16)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,20,21)