(E)-4-(3,5-dimethyl-4-phenylmethoxy-phenyl)-3-methoxycarbonyl-but-3-enoic acid

Systemtic Name: (E)-4-(3,5-dimethyl-4-phenylmethoxy-phenyl)-3-methoxycarbonyl-but-3-enoic acid Openeye Name: (E)-4-(4-benzyloxy-3,5-dimethyl-phenyl)-3-methoxycarbonyl-but-3-enoic acid CAS Name: (E)-4-(3,5-dimethyl-4-phenylmethoxyphenyl)-3-methoxycarbonyl-3-butenoic acid IUPAC Name: (E)-4-(3,5-dimethyl-4-phenylmethoxyphenyl)-3-methoxycarbonylbut-3-enoic acid Traditional Name: (E)-4-(4-benzoxy-3,5-dimethyl-phenyl)-3-carbomethoxy-but-3-enoic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)C=C(CC(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)/C=C(\CC(=O)O)/C(=O)OC

InChI

InChI=1S/C21H22O5/c1-14-9-17(11-18(12-19(22)23)21(24)25-3)10-15(2)20(14)26-13-16-7-5-4-6-8-16/h4-11H,12-13H2,1-3H3,(H,22,23)/b18-11+