2-aminocarbonyl-9-(3-chloranyl-4-methyl-phenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]nonanoic acid

Systemtic Name: 2-aminocarbonyl-9-(3-chloranyl-4-methyl-phenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]nonanoic acid Openeye Name: 2-carbamoyl-9-(3-chloro-4-methyl-phenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]nonanoic acid CAS Name: 2-carbamoyl-9-(3-chloro-4-methylphenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]nonanoic acid IUPAC Name: 2-carbamoyl-9-(3-chloro-4-methylphenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]nonanoic acid Traditional Name: 2-carbamoyl-9-(3-chloro-4-methyl-phenyl)-2-[5-(3,4-dimethylphenyl)pentoxymethyl]pelargonic acid Formula: C31H44ClNO4 MolecularWeight: 530.13836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCCCCOCC(CCCCCCCC2=CC(=C(C=C2)C)Cl)(C(=O)N)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)CCCCCOCC(CCCCCCCC2=CC(=C(C=C2)C)Cl)(C(=O)N)C(=O)O)C

InChI

InChI=1S/C31H44ClNO4/c1-23-14-16-26(20-25(23)3)12-9-7-11-19-37-22-31(29(33)34,30(35)36)18-10-6-4-5-8-13-27-17-15-24(2)28(32)21-27/h14-17,20-21H,4-13,18-19,22H2,1-3H3,(H2,33,34)(H,35,36)