3-[5-[(3-methyl-4-propan-2-yl-phenoxy)methyl]-1,3-benzoxazol-2-yl]benzoic acid

Systemtic Name: 3-[5-[(3-methyl-4-propan-2-yl-phenoxy)methyl]-1,3-benzoxazol-2-yl]benzoic acid Openeye Name: 3-[5-[(4-isopropyl-3-methyl-phenoxy)methyl]-1,3-benzoxazol-2-yl]benzoic acid CAS Name: 3-[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-benzoxazol-2-yl]benzoic acid IUPAC Name: 3-[5-[(3-methyl-4-propan-2-ylphenoxy)methyl]-1,3-benzoxazol-2-yl]benzoic acid Traditional Name: 3-[5-[(4-isopropyl-3-methyl-phenoxy)methyl]-1,3-benzoxazol-2-yl]benzoic acid Formula: C25H23NO4 MolecularWeight: 401.45442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)C(=O)O)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC3=C(C=C2)OC(=N3)C4=CC(=CC=C4)C(=O)O)C(C)C

InChI

InChI=1S/C25H23NO4/c1-15(2)21-9-8-20(11-16(21)3)29-14-17-7-10-23-22(12-17)26-24(30-23)18-5-4-6-19(13-18)25(27)28/h4-13,15H,14H2,1-3H3,(H,27,28)