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

Systemtic Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-pentoxyphenyl)pent-4-enyl]benzoic acid Openeye Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-pentoxyphenyl)pent-4-enyl]benzoic acid CAS Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-pentoxyphenyl)pent-4-enyl]benzoic acid IUPAC Name: 4-[(E)-3-[(4-carboxyphenyl)methyl]-5-(2-pentoxyphenyl)pent-4-enyl]benzoic acid Traditional Name: 4-[(E)-5-(2-amoxyphenyl)-3-(4-carboxybenzyl)pent-4-enyl]benzoic acid Formula: C31H34O5 MolecularWeight: 486.59866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C=CC(CCC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCOC1=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/C31H34O5/c1-2-3-6-21-36-29-8-5-4-7-26(29)16-13-24(22-25-14-19-28(20-15-25)31(34)35)10-9-23-11-17-27(18-12-23)30(32)33/h4-5,7-8,11-20,24H,2-3,6,9-10,21-22H2,1H3,(H,32,33)(H,34,35)/b16-13+