2-aminocarbonyl-8-(4-chlorophenyl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid

Systemtic Name: 2-aminocarbonyl-8-(4-chlorophenyl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid Openeye Name: 2-carbamoyl-8-(4-chlorophenyl)-2-[5-(2-naphthyl)pentoxymethyl]octanoic acid CAS Name: 2-carbamoyl-8-(4-chlorophenyl)-2-[5-(2-naphthalenyl)pentoxymethyl]octanoic acid IUPAC Name: 2-carbamoyl-8-(4-chlorophenyl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid Traditional Name: 2-carbamoyl-8-(4-chlorophenyl)-2-[5-(2-naphthyl)pentoxymethyl]caprylic acid Formula: C31H38ClNO4 MolecularWeight: 524.09072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38ClNO4/c32-28-18-15-24(16-19-28)10-4-1-2-8-20-31(29(33)34,30(35)36)23-37-21-9-3-5-11-25-14-17-26-12-6-7-13-27(26)22-25/h6-7,12-19,22H,1-5,8-11,20-21,23H2,(H2,33,34)(H,35,36)