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

Systemtic Name: 5-azanyl-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid Openeye Name: 5-amino-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid CAS Name: 5-amino-1-[(3-cyanophenyl)methyl]-2-indolecarboxylic acid IUPAC Name: 5-amino-1-[(3-cyanophenyl)methyl]indole-2-carboxylic acid Traditional Name: 5-amino-1-(3-cyanobenzyl)indole-2-carboxylic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O2/c18-9-11-2-1-3-12(6-11)10-20-15-5-4-14(19)7-13(15)8-16(20)17(21)22/h1-8H,10,19H2,(H,21,22)