2-[2-[4-[4-(3-ethoxycarbonyloxyprop-1-ynyl)phenyl]phenyl]-2-oxidanylidene-ethyl]-5-phenyl-pentanoic acid

Systemtic Name: 2-[2-[4-[4-(3-ethoxycarbonyloxyprop-1-ynyl)phenyl]phenyl]-2-oxidanylidene-ethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[2-[4-[4-(3-ethoxycarbonyloxyprop-1-ynyl)phenyl]phenyl]-2-oxo-ethyl]-5-phenyl-pentanoic acid CAS Name: 2-[2-[4-[4-(3-ethoxycarbonyloxyprop-1-ynyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid IUPAC Name: 2-[2-[4-[4-(3-ethoxycarbonyloxyprop-1-ynyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid Traditional Name: 2-[2-[4-[4-(3-carbethoxyoxyprop-1-ynyl)phenyl]phenyl]-2-keto-ethyl]-5-phenyl-valeric acid Formula: C31H30O6 MolecularWeight: 498.5663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OCC#CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(CCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)OCC#CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(CCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C31H30O6/c1-2-36-31(35)37-21-7-11-24-13-15-25(16-14-24)26-17-19-27(20-18-26)29(32)22-28(30(33)34)12-6-10-23-8-4-3-5-9-23/h3-5,8-9,13-20,28H,2,6,10,12,21-22H2,1H3,(H,33,34)