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

Systemtic Name: 2-[2-[4-[4-(3-methoxyprop-1-ynyl)phenyl]phenyl]-2-oxidanylidene-ethyl]-5-phenyl-pentanoic acid Openeye Name: 2-[2-[4-[4-(3-methoxyprop-1-ynyl)phenyl]phenyl]-2-oxo-ethyl]-5-phenyl-pentanoic acid CAS Name: 2-[2-[4-[4-(3-methoxyprop-1-ynyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid IUPAC Name: 2-[2-[4-[4-(3-methoxyprop-1-ynyl)phenyl]phenyl]-2-oxoethyl]-5-phenylpentanoic acid Traditional Name: 2-[2-keto-2-[4-[4-(3-methoxyprop-1-ynyl)phenyl]phenyl]ethyl]-5-phenyl-valeric acid Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28O4/c1-33-20-6-10-23-12-14-24(15-13-23)25-16-18-26(19-17-25)28(30)21-27(29(31)32)11-5-9-22-7-3-2-4-8-22/h2-4,7-8,12-19,27H,5,9,11,20-21H2,1H3,(H,31,32)