3-[2-(4-methoxyphenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]-2-phenyl-propanoic acid

Systemtic Name: 3-[2-(4-methoxyphenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]-2-phenyl-propanoic acid Openeye Name: 3-[2-(4-methoxyphenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]-2-phenyl-propanoic acid CAS Name: 3-[2-(4-methoxyphenyl)-4-[oxo-(8-phenyloctylamino)methyl]phenoxy]-2-phenylpropanoic acid IUPAC Name: 3-[2-(4-methoxyphenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]-2-phenylpropanoic acid Traditional Name: 3-[2-(4-methoxyphenyl)-4-(8-phenyloctylcarbamoyl)phenoxy]-2-phenyl-propionic acid Formula: C37H41NO5 MolecularWeight: 579.72514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)NCCCCCCCCC3=CC=CC=C3)OCC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)NCCCCCCCCC3=CC=CC=C3)OCC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C37H41NO5/c1-42-32-22-19-30(20-23-32)33-26-31(21-24-35(33)43-27-34(37(40)41)29-17-11-7-12-18-29)36(39)38-25-13-5-3-2-4-8-14-28-15-9-6-10-16-28/h6-7,9-12,15-24,26,34H,2-5,8,13-14,25,27H2,1H3,(H,38,39)(H,40,41)