3-[3-[3-[1,3-benzoxazol-2-yl-[(4-methoxyphenyl)methyl]amino]propyl]phenoxy]-3-methyl-butan-2-one

Systemtic Name: 3-[3-[3-[1,3-benzoxazol-2-yl-[(4-methoxyphenyl)methyl]amino]propyl]phenoxy]-3-methyl-butan-2-one Openeye Name: 3-[3-[3-[1,3-benzoxazol-2-yl-[(4-methoxyphenyl)methyl]amino]propyl]phenoxy]-3-methyl-butan-2-one CAS Name: 3-[3-[3-[1,3-benzoxazol-2-yl-[(4-methoxyphenyl)methyl]amino]propyl]phenoxy]-3-methyl-2-butanone IUPAC Name: 3-[3-[3-[1,3-benzoxazol-2-yl-[(4-methoxyphenyl)methyl]amino]propyl]phenoxy]-3-methylbutan-2-one Traditional Name: 3-[3-[3-[1,3-benzoxazol-2-yl(p-anisyl)amino]propyl]phenoxy]-3-methyl-butan-2-one Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C)(C)OC1=CC=CC(=C1)CCCN(CC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)C(C)(C)OC1=CC=CC(=C1)CCCN(CC2=CC=C(C=C2)OC)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C29H32N2O4/c1-21(32)29(2,3)35-25-11-7-9-22(19-25)10-8-18-31(20-23-14-16-24(33-4)17-15-23)28-30-26-12-5-6-13-27(26)34-28/h5-7,9,11-17,19H,8,10,18,20H2,1-4H3