(E)-3-(1,3-benzoxazol-2-yl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]but-3-enoate

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]but-3-enoate Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-isopentyloxy-3-methoxy-phenyl)but-3-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-butenoate IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]but-3-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-isoamoxy-3-methoxy-phenyl)but-3-enoate Formula: C23H24NO5- MolecularWeight: 394.44036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3O2)OC

InChI

InChI=1S/C23H25NO5/c1-15(2)10-11-28-20-9-8-16(13-21(20)27-3)12-17(14-22(25)26)23-24-18-6-4-5-7-19(18)29-23/h4-9,12-13,15H,10-11,14H2,1-3H3,(H,25,26)/p-1/b17-12+