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

Systemtic Name: 3-[4-(3,5-dimethylphenoxy)-2-[(4-naphthalen-2-yloxan-4-yl)carbamoyl]phenyl]propanoic acid Openeye Name: 3-[4-(3,5-dimethylphenoxy)-2-[[4-(2-naphthyl)tetrahydropyran-4-yl]carbamoyl]phenyl]propanoic acid CAS Name: 3-[4-(3,5-dimethylphenoxy)-2-[[[4-(2-naphthalenyl)-4-oxanyl]amino]-oxomethyl]phenyl]propanoic acid IUPAC Name: 3-[4-(3,5-dimethylphenoxy)-2-[(4-naphthalen-2-yloxan-4-yl)carbamoyl]phenyl]propanoic acid Traditional Name: 3-[4-(3,5-dimethylphenoxy)-2-[[4-(2-naphthyl)tetrahydropyran-4-yl]carbamoyl]phenyl]propionic acid Formula: C33H33NO5 MolecularWeight: 523.61882

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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)C4=CC5=CC=CC=C5C=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=C(C=C2)CCC(=O)O)C(=O)NC3(CCOCC3)C4=CC5=CC=CC=C5C=C4)C

InChI

InChI=1S/C33H33NO5/c1-22-17-23(2)19-29(18-22)39-28-11-8-25(9-12-31(35)36)30(21-28)32(37)34-33(13-15-38-16-14-33)27-10-7-24-5-3-4-6-26(24)20-27/h3-8,10-11,17-21H,9,12-16H2,1-2H3,(H,34,37)(H,35,36)