2-aminocarbonyl-7-[(3-chloranyl-4-methyl-phenyl)amino]-2-(5-naphthalen-2-ylpentoxymethyl)heptanoic acid

Systemtic Name: 2-aminocarbonyl-7-[(3-chloranyl-4-methyl-phenyl)amino]-2-(5-naphthalen-2-ylpentoxymethyl)heptanoic acid Openeye Name: 2-carbamoyl-7-(3-chloro-4-methyl-anilino)-2-[5-(2-naphthyl)pentoxymethyl]heptanoic acid CAS Name: 2-carbamoyl-7-(3-chloro-4-methylanilino)-2-[5-(2-naphthalenyl)pentoxymethyl]heptanoic acid IUPAC Name: 2-carbamoyl-7-(3-chloro-4-methylanilino)-2-(5-naphthalen-2-ylpentoxymethyl)heptanoic acid Traditional Name: 2-carbamoyl-7-(3-chloro-4-methyl-anilino)-2-[5-(2-naphthyl)pentoxymethyl]enanthic acid Formula: C31H39ClN2O4 MolecularWeight: 539.10536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H39ClN2O4/c1-23-13-16-27(21-28(23)32)34-18-8-3-7-17-31(29(33)35,30(36)37)22-38-19-9-2-4-10-24-14-15-25-11-5-6-12-26(25)20-24/h5-6,11-16,20-21,34H,2-4,7-10,17-19,22H2,1H3,(H2,33,35)(H,36,37)