2-aminocarbonyl-6-[(3,5-dimethylphenyl)amino]-2-(5-naphthalen-2-ylpentoxymethyl)hexanoic acid

Systemtic Name: 2-aminocarbonyl-6-[(3,5-dimethylphenyl)amino]-2-(5-naphthalen-2-ylpentoxymethyl)hexanoic acid Openeye Name: 2-carbamoyl-6-(3,5-dimethylanilino)-2-[5-(2-naphthyl)pentoxymethyl]hexanoic acid CAS Name: 2-carbamoyl-6-(3,5-dimethylanilino)-2-[5-(2-naphthalenyl)pentoxymethyl]hexanoic acid IUPAC Name: 2-carbamoyl-6-(3,5-dimethylanilino)-2-(5-naphthalen-2-ylpentoxymethyl)hexanoic acid Traditional Name: 2-carbamoyl-6-(3,5-dimethylanilino)-2-[5-(2-naphthyl)pentoxymethyl]hexanoic acid Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H40N2O4/c1-23-18-24(2)20-28(19-23)33-16-8-7-15-31(29(32)34,30(35)36)22-37-17-9-3-4-10-25-13-14-26-11-5-6-12-27(26)21-25/h5-6,11-14,18-21,33H,3-4,7-10,15-17,22H2,1-2H3,(H2,32,34)(H,35,36)