3-[2-[3-(1,3-benzoxazol-2-ylamino)propyl]phenoxy]-3-methyl-butan-2-one

Systemtic Name: 3-[2-[3-(1,3-benzoxazol-2-ylamino)propyl]phenoxy]-3-methyl-butan-2-one Openeye Name: 3-[2-[3-(1,3-benzoxazol-2-ylamino)propyl]phenoxy]-3-methyl-butan-2-one CAS Name: 3-[2-[3-(1,3-benzoxazol-2-ylamino)propyl]phenoxy]-3-methyl-2-butanone IUPAC Name: 3-[2-[3-(1,3-benzoxazol-2-ylamino)propyl]phenoxy]-3-methylbutan-2-one Traditional Name: 3-[2-[3-(1,3-benzoxazol-2-ylamino)propyl]phenoxy]-3-methyl-butan-2-one Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)OC1=CC=CC=C1CCCNC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(=O)C(C)(C)OC1=CC=CC=C1CCCNC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C21H24N2O3/c1-15(24)21(2,3)26-18-12-6-4-9-16(18)10-8-14-22-20-23-17-11-5-7-13-19(17)25-20/h4-7,9,11-13H,8,10,14H2,1-3H3,(H,22,23)