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

Systemtic Name: 4-bromanyl-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid Openeye Name: 4-bromo-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid CAS Name: 4-bromo-1-[(3-cyanophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 4-bromo-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid Traditional Name: 4-bromo-1-(3-cyanobenzyl)indole-2-carboxylic acid Formula: C17H11BrN2O2 MolecularWeight: 355.18544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C3=C(C=C2C(=O)O)C(=CC=C3)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CN2C3=C(C=C2C(=O)O)C(=CC=C3)Br)C#N

InChI

InChI=1S/C17H11BrN2O2/c18-14-5-2-6-15-13(14)8-16(17(21)22)20(15)10-12-4-1-3-11(7-12)9-19/h1-8H,10H2,(H,21,22)