3-[4-(3,5-dimethylphenoxy)-2-[(4-phenethyloxan-4-yl)carbamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-(3,5-dimethylphenoxy)-2-[(4-phenethyloxan-4-yl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-(3,5-dimethylphenoxy)-2-[(4-phenethyltetrahydropyran-4-yl)carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-(3,5-dimethylphenoxy)-2-[oxo-[(4-phenethyl-4-oxanyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-(3,5-dimethylphenoxy)-2-[(4-phenethyloxan-4-yl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(3,5-dimethylphenoxy)-2-[(4-phenethyltetrahydropyran-4-yl)carbamoyl]phenyl]propionic acid Formula: C31H35NO5 MolecularWeight: 501.6133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC3(CCOCC3)CCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC3(CCOCC3)CCC4=CC=CC=C4)C

InChI

InChI=1S/C31H35NO5/c1-22-18-23(2)20-27(19-22)37-26-10-8-25(9-11-29(33)34)28(21-26)30(35)32-31(14-16-36-17-15-31)13-12-24-6-4-3-5-7-24/h3-8,10,18-21H,9,11-17H2,1-2H3,(H,32,35)(H,33,34)