5-chloranyl-3-methyl-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 5-chloranyl-3-methyl-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-5-chloro-3-methyl-indole-2-carboxylic acid CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-5-chloro-3-methylindole-2-carboxylic acid Traditional Name: 1-benzyl-5-chloro-3-methyl-indole-2-carboxylic acid Formula: C17H14ClNO2 MolecularWeight: 299.75156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)Cl)CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H14ClNO2/c1-11-14-9-13(18)7-8-15(14)19(16(11)17(20)21)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,20,21)