2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-imidazol-1-ylphenyl)propanoic acid

Systemtic Name: 2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-imidazol-1-ylphenyl)propanoic acid Openeye Name: 2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-imidazol-1-ylphenyl)propanoic acid CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-3-[4-(1-imidazolyl)phenyl]propanoic acid IUPAC Name: 2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-imidazol-1-ylphenyl)propanoic acid Traditional Name: 2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-imidazol-1-ylphenyl)propionic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)N3C=CN=C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(C)C(CC2=CC=C(C=C2)N3C=CN=C3)C(=O)O)C

InChI

InChI=1S/C22H23N3O3/c1-15-10-16(2)12-18(11-15)21(26)24(3)20(22(27)28)13-17-4-6-19(7-5-17)25-9-8-23-14-25/h4-12,14,20H,13H2,1-3H3,(H,27,28)