5-(4-chlorophenyl)-2-(4-methoxyphenoxy)pent-4-ynoic acid

Systemtic Name: 5-(4-chlorophenyl)-2-(4-methoxyphenoxy)pent-4-ynoic acid Openeye Name: 5-(4-chlorophenyl)-2-(4-methoxyphenoxy)pent-4-ynoic acid CAS Name: 5-(4-chlorophenyl)-2-(4-methoxyphenoxy)-4-pentynoic acid IUPAC Name: 5-(4-chlorophenyl)-2-(4-methoxyphenoxy)pent-4-ynoic acid Traditional Name: 5-(4-chlorophenyl)-2-(4-methoxyphenoxy)pent-4-ynoic acid Formula: C18H15ClO4 MolecularWeight: 330.7623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(CC#CC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC(CC#CC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H15ClO4/c1-22-15-9-11-16(12-10-15)23-17(18(20)21)4-2-3-13-5-7-14(19)8-6-13/h5-12,17H,4H2,1H3,(H,20,21)