4-[(E,3S)-3-[(4-carboxyphenyl)methyl]-5-[2-(5-phenylpentoxy)phenyl]pent-4-enyl]benzoic acid

Systemtic Name: 4-[(E,3S)-3-[(4-carboxyphenyl)methyl]-5-[2-(5-phenylpentoxy)phenyl]pent-4-enyl]benzoic acid Openeye Name: 4-[(E,3S)-3-[(4-carboxyphenyl)methyl]-5-[2-(5-phenylpentoxy)phenyl]pent-4-enyl]benzoic acid CAS Name: 4-[(E,3S)-3-[(4-carboxyphenyl)methyl]-5-[2-(5-phenylpentoxy)phenyl]pent-4-enyl]benzoic acid IUPAC Name: 4-[(E,3S)-3-[(4-carboxyphenyl)methyl]-5-[2-(5-phenylpentoxy)phenyl]pent-4-enyl]benzoic acid Traditional Name: 4-[(E,3S)-3-(4-carboxybenzyl)-5-[2-(5-phenylpentoxy)phenyl]pent-4-enyl]benzoic acid Formula: C37H38O5 MolecularWeight: 562.69462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOC2=CC=CC=C2C=CC(CCC3=CC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOC2=CC=CC=C2/C=C/[C@@H](CCC3=CC=C(C=C3)C(=O)O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C37H38O5/c38-36(39)33-22-16-29(17-23-33)14-15-30(27-31-19-24-34(25-20-31)37(40)41)18-21-32-12-6-7-13-35(32)42-26-8-2-5-11-28-9-3-1-4-10-28/h1,3-4,6-7,9-10,12-13,16-25,30H,2,5,8,11,14-15,26-27H2,(H,38,39)(H,40,41)/b21-18+/t30-/m1/s1