4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-methoxyphenyl)pent-4-enyl]benzoic acid

Systemtic Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-methoxyphenyl)pent-4-enyl]benzoic acid Openeye Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-methoxyphenyl)pent-4-enyl]benzoic acid CAS Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-methoxyphenyl)pent-4-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-methoxyphenyl)pent-4-enyl]benzoic acid Traditional Name: 4-[(E)-3-(4-carboxybenzyl)-5-(2-methoxyphenyl)pent-4-enyl]benzoic acid Formula: C27H26O5 MolecularWeight: 430.49234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(CCC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(CCC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C27H26O5/c1-32-25-5-3-2-4-22(25)13-10-20(18-21-11-16-24(17-12-21)27(30)31)7-6-19-8-14-23(15-9-19)26(28)29/h2-5,8-17,20H,6-7,18H2,1H3,(H,28,29)(H,30,31)/b13-10+