2-[[4-(3-cyclohexyloxy-4-ethoxy-butyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-(3-cyclohexyloxy-4-ethoxy-butyl)-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[3-(cyclohexoxy)-4-ethoxy-butyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-(3-cyclohexyloxy-4-ethoxybutyl)-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-(3-cyclohexyloxy-4-ethoxybutyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[3-(cyclohexoxy)-4-ethoxy-butyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C31H43NO7S MolecularWeight: 573.74062

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(CCC1=CC(=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C2=CC=CC=C2C)OC3CCCCC3

Isomeric SMILES

CCOCC(CCC1=CC(=C(C=C1)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C2=CC=CC=C2C)OC3CCCCC3

InChI

InChI=1S/C31H43NO7S/c1-4-38-21-25(39-24-11-6-5-7-12-24)16-14-23-15-17-27(28(20-23)26-13-9-8-10-22(26)2)30(33)32-29(31(34)35)18-19-40(3,36)37/h8-10,13,15,17,20,24-25,29H,4-7,11-12,14,16,18-19,21H2,1-3H3,(H,32,33)(H,34,35)