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

Systemtic Name: 2-aminocarbonyl-8-[(3-chloranyl-4-methyl-phenyl)amino]-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid Openeye Name: 2-carbamoyl-8-(3-chloro-4-methyl-anilino)-2-[5-(2-naphthyl)pentoxymethyl]octanoic acid CAS Name: 2-carbamoyl-8-(3-chloro-4-methylanilino)-2-[5-(2-naphthalenyl)pentoxymethyl]octanoic acid IUPAC Name: 2-carbamoyl-8-(3-chloro-4-methylanilino)-2-(5-naphthalen-2-ylpentoxymethyl)octanoic acid Traditional Name: 2-carbamoyl-8-(3-chloro-4-methyl-anilino)-2-[5-(2-naphthyl)pentoxymethyl]caprylic acid Formula: C32H41ClN2O4 MolecularWeight: 553.13194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H41ClN2O4/c1-24-14-17-28(22-29(24)33)35-19-9-3-2-8-18-32(30(34)36,31(37)38)23-39-20-10-4-5-11-25-15-16-26-12-6-7-13-27(26)21-25/h6-7,12-17,21-22,35H,2-5,8-11,18-20,23H2,1H3,(H2,34,36)(H,37,38)