2-[(phenylmethyl)amino]-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid

Systemtic Name: 2-[(phenylmethyl)amino]-3-[3-(phenylmethyl)imidazol-4-yl]propanoic acid Openeye Name: 2-(benzylamino)-3-(3-benzylimidazol-4-yl)propanoic acid CAS Name: 2-[(phenylmethyl)amino]-3-[3-(phenylmethyl)-4-imidazolyl]propanoic acid IUPAC Name: 2-(benzylamino)-3-(3-benzylimidazol-4-yl)propanoic acid Traditional Name: 2-(benzylamino)-3-(3-benzylimidazol-4-yl)propionic acid Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC2=CN=CN2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC2=CN=CN2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H21N3O2/c24-20(25)19(22-12-16-7-3-1-4-8-16)11-18-13-21-15-23(18)14-17-9-5-2-6-10-17/h1-10,13,15,19,22H,11-12,14H2,(H,24,25)