1,3-benzoxazol-2-ylmethyl (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate

Systemtic Name: 1,3-benzoxazol-2-ylmethyl (E)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Openeye Name: 1,3-benzoxazol-2-ylmethyl (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate CAS Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propenoic acid 1,3-benzoxazol-2-ylmethyl ester IUPAC Name: 1,3-benzoxazol-2-ylmethyl (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-enoate Traditional Name: (E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acrylic acid 1,3-benzoxazol-2-ylmethyl ester Formula: C20H16ClNO5 MolecularWeight: 385.79774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)C=CC(=O)OCC3=NC4=CC=CC=C4O3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)/C=C/C(=O)OCC3=NC4=CC=CC=C4O3)Cl)OC1

InChI

InChI=1S/C20H16ClNO5/c21-14-10-13(11-17-20(14)25-9-3-8-24-17)6-7-19(23)26-12-18-22-15-4-1-2-5-16(15)27-18/h1-2,4-7,10-11H,3,8-9,12H2/b7-6+