3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propanoic acid

Systemtic Name: 3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propanoic acid Openeye Name: 3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propanoic acid CAS Name: 3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propanoic acid IUPAC Name: 3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propanoic acid Traditional Name: 3-(1H-indol-3-ylmethylamino)-3-(5-phenyl-1H-imidazol-2-yl)propionic acid Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N2)C(CC(=O)O)NCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N2)C(CC(=O)O)NCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H20N4O2/c26-20(27)10-18(21-24-13-19(25-21)14-6-2-1-3-7-14)23-12-15-11-22-17-9-5-4-8-16(15)17/h1-9,11,13,18,22-23H,10,12H2,(H,24,25)(H,26,27)