3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-phenylimidazol-2-yl)amino]propanoic acid

Systemtic Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-phenylimidazol-2-yl)amino]propanoic acid Openeye Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-phenylimidazol-2-yl)amino]propanoic acid CAS Name: 3-[4-[dimethylamino(oxo)methoxy]phenyl]-2-[(1-phenyl-2-imidazolyl)amino]propanoic acid IUPAC Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-phenylimidazol-2-yl)amino]propanoic acid Traditional Name: 3-[4-(dimethylcarbamoyloxy)phenyl]-2-[(1-phenylimidazol-2-yl)amino]propionic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=CN2C3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC2=NC=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4/c1-24(2)21(28)29-17-10-8-15(9-11-17)14-18(19(26)27)23-20-22-12-13-25(20)16-6-4-3-5-7-16/h3-13,18H,14H2,1-2H3,(H,22,23)(H,26,27)