[2-(1,3-benzoxazol-2-yl)phenyl] 2-[4-(3-methylbutyl)phenyl]propanoate

Systemtic Name: [2-(1,3-benzoxazol-2-yl)phenyl] 2-[4-(3-methylbutyl)phenyl]propanoate Openeye Name: [2-(1,3-benzoxazol-2-yl)phenyl] 2-(4-isopentylphenyl)propanoate CAS Name: 2-[4-(3-methylbutyl)phenyl]propanoic acid [2-(1,3-benzoxazol-2-yl)phenyl] ester IUPAC Name: [2-(1,3-benzoxazol-2-yl)phenyl] 2-[4-(3-methylbutyl)phenyl]propanoate Traditional Name: 2-(4-isoamylphenyl)propionic acid [2-(1,3-benzoxazol-2-yl)phenyl] ester Formula: C27H27NO3 MolecularWeight: 413.50818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC=C(C=C1)C(C)C(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CCC1=CC=C(C=C1)C(C)C(=O)OC2=CC=CC=C2C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C27H27NO3/c1-18(2)12-13-20-14-16-21(17-15-20)19(3)27(29)31-24-10-6-4-8-22(24)26-28-23-9-5-7-11-25(23)30-26/h4-11,14-19H,12-13H2,1-3H3