2-aminocarbonyl-8-(3-chloranyl-4-methyl-phenyl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid

Systemtic Name: 2-aminocarbonyl-8-(3-chloranyl-4-methyl-phenyl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid Openeye Name: 2-carbamoyl-8-(3-chloro-4-methyl-phenyl)-2-[5-(2-naphthyl)pentoxymethyl]octanoic acid CAS Name: 2-carbamoyl-8-(3-chloro-4-methylphenyl)-2-[5-(2-naphthalenyl)pentoxymethyl]octanoic acid IUPAC Name: 2-carbamoyl-8-(3-chloro-4-methylphenyl)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid Traditional Name: 2-carbamoyl-8-(3-chloro-4-methyl-phenyl)-2-[5-(2-naphthyl)pentoxymethyl]caprylic acid Formula: C32H40ClNO4 MolecularWeight: 538.1173

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCCCCC(COCCCCCC2=CC3=CC=CC=C3C=C2)(C(=O)N)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCCCCCC(COCCCCCC2=CC3=CC=CC=C3C=C2)(C(=O)N)C(=O)O)Cl

InChI

InChI=1S/C32H40ClNO4/c1-24-15-16-26(22-29(24)33)12-5-2-3-9-19-32(30(34)35,31(36)37)23-38-20-10-4-6-11-25-17-18-27-13-7-8-14-28(27)21-25/h7-8,13-18,21-22H,2-6,9-12,19-20,23H2,1H3,(H2,34,35)(H,36,37)