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

Systemtic Name: 3-[3-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]butan-2-one Openeye Name: 3-[3-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]butan-2-one CAS Name: 3-[3-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]-2-butanone IUPAC Name: 3-[3-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]butan-2-one Traditional Name: 3-[3-[2-[1,3-benzoxazol-2-yl(2-phenoxyethyl)amino]ethyl]phenoxy]butan-2-one Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC1=CC=CC(=C1)CCN(CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C(=O)C)OC1=CC=CC(=C1)CCN(CCOC2=CC=CC=C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C27H28N2O4/c1-20(30)21(2)32-24-12-8-9-22(19-24)15-16-29(17-18-31-23-10-4-3-5-11-23)27-28-25-13-6-7-14-26(25)33-27/h3-14,19,21H,15-18H2,1-2H3