2-[(3-methylphenyl)carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Systemtic Name: 2-[(3-methylphenyl)carbonylamino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Openeye Name: 3-(4-tert-butoxyphenyl)-2-[(3-methylbenzoyl)amino]propanoic acid CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid IUPAC Name: 2-[(3-methylbenzoyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid Traditional Name: 3-(4-tert-butoxyphenyl)-2-(m-toluoylamino)propionic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(CC2=CC=C(C=C2)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-14-6-5-7-16(12-14)19(23)22-18(20(24)25)13-15-8-10-17(11-9-15)26-21(2,3)4/h5-12,18H,13H2,1-4H3,(H,22,23)(H,24,25)