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

Systemtic Name: methyl 2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-imidazol-1-ylphenyl)propanoate Openeye Name: methyl 2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-imidazol-1-ylphenyl)propanoate CAS Name: 2-[[(3,5-dimethylphenyl)-oxomethyl]-methylamino]-3-[4-(1-imidazolyl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(3,5-dimethylbenzoyl)-methylamino]-3-(4-imidazol-1-ylphenyl)propanoate Traditional Name: 2-[(3,5-dimethylbenzoyl)-methyl-amino]-3-(4-imidazol-1-ylphenyl)propionic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-16-11-17(2)13-19(12-16)22(27)25(3)21(23(28)29-4)14-18-5-7-20(8-6-18)26-10-9-24-15-26/h5-13,15,21H,14H2,1-4H3