methyl (2S)-2-[(3,5-dimethylphenyl)carbonylamino]-3-(3-methylimidazol-4-yl)propanoate

Systemtic Name: methyl (2S)-2-[(3,5-dimethylphenyl)carbonylamino]-3-(3-methylimidazol-4-yl)propanoate Openeye Name: methyl (2S)-2-[(3,5-dimethylbenzoyl)amino]-3-(3-methylimidazol-4-yl)propanoate CAS Name: (2S)-2-[[(3,5-dimethylphenyl)-oxomethyl]amino]-3-(3-methyl-4-imidazolyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3,5-dimethylbenzoyl)amino]-3-(3-methylimidazol-4-yl)propanoate Traditional Name: (2S)-2-[(3,5-dimethylbenzoyl)amino]-3-(3-methylimidazol-4-yl)propionic acid methyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(CC2=CN=CN2C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CN=CN2C)C(=O)OC)C

InChI

InChI=1S/C17H21N3O3/c1-11-5-12(2)7-13(6-11)16(21)19-15(17(22)23-4)8-14-9-18-10-20(14)3/h5-7,9-10,15H,8H2,1-4H3,(H,19,21)/t15-/m0/s1