3-[4-[5-(4-butylphenoxy)pent-1-ynyl]phenyl]-2-methoxy-propanoic acid

Systemtic Name: 3-[4-[5-(4-butylphenoxy)pent-1-ynyl]phenyl]-2-methoxy-propanoic acid Openeye Name: 3-[4-[5-(4-butylphenoxy)pent-1-ynyl]phenyl]-2-methoxy-propanoic acid CAS Name: 3-[4-[5-(4-butylphenoxy)pent-1-ynyl]phenyl]-2-methoxypropanoic acid IUPAC Name: 3-[4-[5-(4-butylphenoxy)pent-1-ynyl]phenyl]-2-methoxypropanoic acid Traditional Name: 3-[4-[5-(4-butylphenoxy)pent-1-ynyl]phenyl]-2-methoxy-propionic acid Formula: C25H30O4 MolecularWeight: 394.5033

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)OCCCC#CC2=CC=C(C=C2)CC(C(=O)O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)OCCCC#CC2=CC=C(C=C2)CC(C(=O)O)OC

InChI

InChI=1S/C25H30O4/c1-3-4-8-20-14-16-23(17-15-20)29-18-7-5-6-9-21-10-12-22(13-11-21)19-24(28-2)25(26)27/h10-17,24H,3-5,7-8,18-19H2,1-2H3,(H,26,27)