3-chloranyl-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-chloranyl-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid Openeye Name: 3-chloro-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid CAS Name: 3-chloro-1-[(3-cyanophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-chloro-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid Traditional Name: 3-chloro-1-(3-cyanobenzyl)indole-2-carboxylic acid Formula: C17H11ClN2O2 MolecularWeight: 310.73444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2CC3=CC=CC(=C3)C#N)C(=O)O)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2CC3=CC=CC(=C3)C#N)C(=O)O)Cl

InChI

InChI=1S/C17H11ClN2O2/c18-15-13-6-1-2-7-14(13)20(16(15)17(21)22)10-12-5-3-4-11(8-12)9-19/h1-8H,10H2,(H,21,22)