2-aminocarbonyl-8-(3,4-dichlorophenyl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid

Systemtic Name: 2-aminocarbonyl-8-(3,4-dichlorophenyl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid Openeye Name: 2-carbamoyl-8-(3,4-dichlorophenyl)-2-[5-(2-naphthyl)pentoxymethyl]octanoic acid CAS Name: 2-carbamoyl-8-(3,4-dichlorophenyl)-2-[5-(2-naphthalenyl)pentoxymethyl]octanoic acid IUPAC Name: 2-carbamoyl-8-(3,4-dichlorophenyl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid Traditional Name: 2-carbamoyl-8-(3,4-dichlorophenyl)-2-[5-(2-naphthyl)pentoxymethyl]caprylic acid Formula: C31H37Cl2NO4 MolecularWeight: 558.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)CCCCCOCC(CCCCCCC3=CC(=C(C=C3)Cl)Cl)(C(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)CCCCCOCC(CCCCCCC3=CC(=C(C=C3)Cl)Cl)(C(=O)N)C(=O)O

InChI

InChI=1S/C31H37Cl2NO4/c32-27-17-15-24(21-28(27)33)11-4-1-2-8-18-31(29(34)35,30(36)37)22-38-19-9-3-5-10-23-14-16-25-12-6-7-13-26(25)20-23/h6-7,12-17,20-21H,1-5,8-11,18-19,22H2,(H2,34,35)(H,36,37)