2-aminocarbonyl-9-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(5-naphthalen-2-ylpentoxymethyl)nonanoic acid

Systemtic Name: 2-aminocarbonyl-9-(3,5-dimethyl-4-oxidanyl-phenyl)-2-(5-naphthalen-2-ylpentoxymethyl)nonanoic acid Openeye Name: 2-carbamoyl-9-(4-hydroxy-3,5-dimethyl-phenyl)-2-[5-(2-naphthyl)pentoxymethyl]nonanoic acid CAS Name: 2-carbamoyl-9-(4-hydroxy-3,5-dimethylphenyl)-2-[5-(2-naphthalenyl)pentoxymethyl]nonanoic acid IUPAC Name: 2-carbamoyl-9-(4-hydroxy-3,5-dimethylphenyl)-2-(5-naphthalen-2-ylpentoxymethyl)nonanoic acid Traditional Name: 2-carbamoyl-9-(4-hydroxy-3,5-dimethyl-phenyl)-2-[5-(2-naphthyl)pentoxymethyl]pelargonic acid Formula: C34H45NO5 MolecularWeight: 547.7248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CCCCCCCC(COCCCCCC2=CC3=CC=CC=C3C=C2)(C(=O)N)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CCCCCCCC(COCCCCCC2=CC3=CC=CC=C3C=C2)(C(=O)N)C(=O)O

InChI

InChI=1S/C34H45NO5/c1-25-21-28(22-26(2)31(25)36)14-7-4-3-5-11-19-34(32(35)37,33(38)39)24-40-20-12-6-8-13-27-17-18-29-15-9-10-16-30(29)23-27/h9-10,15-18,21-23,36H,3-8,11-14,19-20,24H2,1-2H3,(H2,35,37)(H,38,39)