2-(1H-indol-3-ylmethylamino)-4-(5-phenyl-1H-imidazol-2-yl)butanoate

Systemtic Name: 2-(1H-indol-3-ylmethylamino)-4-(5-phenyl-1H-imidazol-2-yl)butanoate Openeye Name: 2-(1H-indol-3-ylmethylamino)-4-(5-phenyl-1H-imidazol-2-yl)butanoate CAS Name: 2-(1H-indol-3-ylmethylamino)-4-(5-phenyl-1H-imidazol-2-yl)butanoate IUPAC Name: 2-(1H-indol-3-ylmethylamino)-4-(5-phenyl-1H-imidazol-2-yl)butanoate Traditional Name: 2-(1H-indol-3-ylmethylamino)-4-(5-phenyl-1H-imidazol-2-yl)butyrate Formula: C22H21N4O2- MolecularWeight: 373.42774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CN=C(N2)CCC(C(=O)[O-])NCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)C2=CN=C(N2)CCC(C(=O)[O-])NCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H22N4O2/c27-22(28)19(24-13-16-12-23-18-9-5-4-8-17(16)18)10-11-21-25-14-20(26-21)15-6-2-1-3-7-15/h1-9,12,14,19,23-24H,10-11,13H2,(H,25,26)(H,27,28)/p-1