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

Systemtic Name: 2-aminocarbonyl-8-(3,4-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]octanoic acid Openeye Name: 2-carbamoyl-8-(3,4-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]octanoic acid CAS Name: 2-carbamoyl-8-(3,4-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]octanoic acid IUPAC Name: 2-carbamoyl-8-(3,4-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]octanoic acid Traditional Name: 2-carbamoyl-8-(3,4-dimethylphenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]caprylic acid Formula: C31H45NO4 MolecularWeight: 495.6933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO4/c1-23-14-16-27(20-25(23)3)12-8-5-6-10-18-31(29(32)33,30(34)35)22-36-19-11-7-9-13-28-17-15-24(2)26(4)21-28/h14-17,20-21H,5-13,18-19,22H2,1-4H3,(H2,32,33)(H,34,35)