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

Systemtic Name: 5-chloranyl-1-(phenylmethyl)indole-3-carboxylic acid Openeye Name: 1-benzyl-5-chloro-indole-3-carboxylic acid CAS Name: 5-chloro-1-(phenylmethyl)-3-indolecarboxylic acid IUPAC Name: 1-benzyl-5-chloroindole-3-carboxylic acid Traditional Name: 1-benzyl-5-chloro-indole-3-carboxylic acid Formula: C16H12ClNO2 MolecularWeight: 285.72498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=C2C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C16H12ClNO2/c17-12-6-7-15-13(8-12)14(16(19)20)10-18(15)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,19,20)