6-(imidazol-1-ylmethyl)-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 6-(imidazol-1-ylmethyl)-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-6-(imidazol-1-ylmethyl)indole-2-carboxylic acid CAS Name: 6-(1-imidazolylmethyl)-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-6-(imidazol-1-ylmethyl)indole-2-carboxylic acid Traditional Name: 1-benzyl-6-(imidazol-1-ylmethyl)indole-2-carboxylic acid Formula: C20H17N3O2 MolecularWeight: 331.36788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC3=C2C=C(C=C3)CN4C=CN=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC3=C2C=C(C=C3)CN4C=CN=C4)C(=O)O

InChI

InChI=1S/C20H17N3O2/c24-20(25)19-11-17-7-6-16(12-22-9-8-21-14-22)10-18(17)23(19)13-15-4-2-1-3-5-15/h1-11,14H,12-13H2,(H,24,25)