3-[5-(3-ethoxycarbonylphenyl)carbonyl-2-[6-(4-methoxyphenyl)hex-5-ynoxy]phenyl]propanoic acid

Systemtic Name: 3-[5-(3-ethoxycarbonylphenyl)carbonyl-2-[6-(4-methoxyphenyl)hex-5-ynoxy]phenyl]propanoic acid Openeye Name: 3-[5-(3-ethoxycarbonylbenzoyl)-2-[6-(4-methoxyphenyl)hex-5-ynoxy]phenyl]propanoic acid CAS Name: 3-[5-[(3-ethoxycarbonylphenyl)-oxomethyl]-2-[6-(4-methoxyphenyl)hex-5-ynoxy]phenyl]propanoic acid IUPAC Name: 3-[5-(3-ethoxycarbonylbenzoyl)-2-[6-(4-methoxyphenyl)hex-5-ynoxy]phenyl]propanoic acid Traditional Name: 3-[5-(3-carbethoxybenzoyl)-2-[6-(4-methoxyphenyl)hex-5-ynoxy]phenyl]propionic acid Formula: C32H32O7 MolecularWeight: 528.59228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)OCCCCC#CC3=CC=C(C=C3)OC)CCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C(=O)C2=CC(=C(C=C2)OCCCCC#CC3=CC=C(C=C3)OC)CCC(=O)O

InChI

InChI=1S/C32H32O7/c1-3-38-32(36)27-11-8-10-25(22-27)31(35)26-14-18-29(24(21-26)15-19-30(33)34)39-20-7-5-4-6-9-23-12-16-28(37-2)17-13-23/h8,10-14,16-18,21-22H,3-5,7,15,19-20H2,1-2H3,(H,33,34)