2-[(4,6-ditert-butyl-1,3-benzoxazol-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[(4,6-ditert-butyl-1,3-benzoxazol-2-yl)carbonylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[(4,6-ditert-butyl-1,3-benzoxazole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[(4,6-ditert-butyl-1,3-benzoxazol-2-yl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[(4,6-ditert-butyl-1,3-benzoxazole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(4,6-ditert-butyl-1,3-benzoxazole-2-carbonyl)amino]-3-(4-hydroxyphenyl)propionic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C(=C1)OC(=N2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C(=C1)OC(=N2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)O)C(C)(C)C

InChI

InChI=1S/C25H30N2O5/c1-24(2,3)15-12-17(25(4,5)6)20-19(13-15)32-22(27-20)21(29)26-18(23(30)31)11-14-7-9-16(28)10-8-14/h7-10,12-13,18,28H,11H2,1-6H3,(H,26,29)(H,30,31)