(E)-3-[3-[4-methoxy-3-(2-methyloctan-2-yl)phenyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[4-methoxy-3-(2-methyloctan-2-yl)phenyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[3-(1,1-dimethylheptyl)-4-methoxy-phenyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[4-methoxy-3-(2-methyloctan-2-yl)phenyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[4-methoxy-3-(2-methyloctan-2-yl)phenyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[3-(1,1-dimethylheptyl)-4-methoxy-phenyl]phenyl]acrylic acid Formula: C25H32O3 MolecularWeight: 380.51978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=C(C=CC(=C1)C2=CC(=CC=C2)C=CC(=O)O)OC

Isomeric SMILES

CCCCCCC(C)(C)C1=C(C=CC(=C1)C2=CC(=CC=C2)/C=C/C(=O)O)OC

InChI

InChI=1S/C25H32O3/c1-5-6-7-8-16-25(2,3)22-18-21(13-14-23(22)28-4)20-11-9-10-19(17-20)12-15-24(26)27/h9-15,17-18H,5-8,16H2,1-4H3,(H,26,27)/b15-12+