[4-[(2S)-butan-2-yl]phenyl] (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [4-[(2S)-butan-2-yl]phenyl] (E)-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [4-[(1S)-1-methylpropyl]phenyl] (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoic acid [4-[(2S)-butan-2-yl]phenyl] ester IUPAC Name: [4-[(2S)-butan-2-yl]phenyl] (E)-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(6-bromo-1,3-benzodioxol-5-yl)acrylic acid [4-[(1S)-1-methylpropyl]phenyl] ester Formula: C20H19BrO4 MolecularWeight: 403.26646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC(=O)C=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OC(=O)/C=C/C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C20H19BrO4/c1-3-13(2)14-4-7-16(8-5-14)25-20(22)9-6-15-10-18-19(11-17(15)21)24-12-23-18/h4-11,13H,3,12H2,1-2H3/b9-6+/t13-/m0/s1