2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-benzoic acid

Systemtic Name: 2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-benzoic acid Openeye Name: 2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-benzoic acid CAS Name: 2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methylbenzoic acid IUPAC Name: 2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methylbenzoic acid Traditional Name: 2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-benzoic acid Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)CNC3=NC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)COC2=CC=CC(=C2)CNC3=NC4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C23H20N2O4/c1-15-6-4-8-17(21(15)22(26)27)14-28-18-9-5-7-16(12-18)13-24-23-25-19-10-2-3-11-20(19)29-23/h2-12H,13-14H2,1H3,(H,24,25)(H,26,27)