2-aminocarbonyl-8-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]octanoic acid

Systemtic Name: 2-aminocarbonyl-8-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]octanoic acid Openeye Name: 2-carbamoyl-8-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]octanoic acid CAS Name: 2-carbamoyl-8-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]octanoic acid IUPAC Name: 2-carbamoyl-8-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]octanoic acid Traditional Name: 2-carbamoyl-8-(4-chlorophenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]caprylic acid Formula: C29H40ClNO4 MolecularWeight: 502.0852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCCCOCC(CCCCCCC2=CC=C(C=C2)Cl)(C(=O)N)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCCCCOCC(CCCCCCC2=CC=C(C=C2)Cl)(C(=O)N)C(=O)O)C

InChI

InChI=1S/C29H40ClNO4/c1-22-12-13-25(20-23(22)2)11-7-5-9-19-35-21-29(27(31)32,28(33)34)18-8-4-3-6-10-24-14-16-26(30)17-15-24/h12-17,20H,3-11,18-19,21H2,1-2H3,(H2,31,32)(H,33,34)