(E)-4-[3-methoxy-2-(phenylmethyl)phenyl]but-2-enoate

Systemtic Name: (E)-4-[3-methoxy-2-(phenylmethyl)phenyl]but-2-enoate Openeye Name: (E)-4-(2-benzyl-3-methoxy-phenyl)but-2-enoate CAS Name: (E)-4-[3-methoxy-2-(phenylmethyl)phenyl]-2-butenoate IUPAC Name: (E)-4-(2-benzyl-3-methoxyphenyl)but-2-enoate Traditional Name: (E)-4-(2-benzyl-3-methoxy-phenyl)but-2-enoate Formula: C18H17O3- MolecularWeight: 281.32578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1CC2=CC=CC=C2)CC=CC(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1CC2=CC=CC=C2)C/C=C/C(=O)[O-]

InChI

InChI=1S/C18H18O3/c1-21-17-11-5-9-15(10-6-12-18(19)20)16(17)13-14-7-3-2-4-8-14/h2-9,11-12H,10,13H2,1H3,(H,19,20)/p-1/b12-6+