1-[4-(2-imidazol-1-ylethyl)phenyl]-4-oxidanylidene-6,7-dihydro-5H-indole-3-carboxylic acid

Systemtic Name: 1-[4-(2-imidazol-1-ylethyl)phenyl]-4-oxidanylidene-6,7-dihydro-5H-indole-3-carboxylic acid Openeye Name: 1-[4-(2-imidazol-1-ylethyl)phenyl]-4-oxo-6,7-dihydro-5H-indole-3-carboxylic acid CAS Name: 1-[4-[2-(1-imidazolyl)ethyl]phenyl]-4-oxo-6,7-dihydro-5H-indole-3-carboxylic acid IUPAC Name: 1-[4-(2-imidazol-1-ylethyl)phenyl]-4-oxo-6,7-dihydro-5H-indole-3-carboxylic acid Traditional Name: 1-[4-(2-imidazol-1-ylethyl)phenyl]-4-keto-6,7-dihydro-5H-indole-3-carboxylic acid Formula: C20H19N3O3 MolecularWeight: 349.38316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=CN2C3=CC=C(C=C3)CCN4C=CN=C4)C(=O)O

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=CN2C3=CC=C(C=C3)CCN4C=CN=C4)C(=O)O

InChI

InChI=1S/C20H19N3O3/c24-18-3-1-2-17-19(18)16(20(25)26)12-23(17)15-6-4-14(5-7-15)8-10-22-11-9-21-13-22/h4-7,9,11-13H,1-3,8,10H2,(H,25,26)