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

Systemtic Name: methyl 2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-benzoate Openeye Name: methyl 2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-benzoate CAS Name: 2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methylbenzoate Traditional Name: 2-[[3-[(1,3-benzoxazol-2-ylamino)methyl]phenoxy]methyl]-6-methyl-benzoic acid methyl ester Formula: C24H22N2O4 MolecularWeight: 402.44248

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O4/c1-16-7-5-9-18(22(16)23(27)28-2)15-29-19-10-6-8-17(13-19)14-25-24-26-20-11-3-4-12-21(20)30-24/h3-13H,14-15H2,1-2H3,(H,25,26)