3-[2-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one

Systemtic Name: 3-[2-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one Openeye Name: 3-[2-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one CAS Name: 3-[2-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]-3-methyl-2-butanone IUPAC Name: 3-[2-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]-3-methylbutan-2-one Traditional Name: 3-[2-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]-3-methyl-butan-2-one Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)OC1=CC=CC=C1CCN(CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)C(C)(C)OC1=CC=CC=C1CCN(CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C28H30N2O4/c1-21(31)28(2,3)34-25-15-9-7-11-22(25)17-18-30(19-20-32-23-12-5-4-6-13-23)27-29-24-14-8-10-16-26(24)33-27/h4-16H,17-20H2,1-3H3