2-[[2-(2-methylphenyl)-4-(phenylmethoxymethyl)phenyl]carbonyl-methylsulfonyl-amino]butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-(phenylmethoxymethyl)phenyl]carbonyl-methylsulfonyl-amino]butanoic acid Openeye Name: 2-[[4-(benzyloxymethyl)-2-(o-tolyl)benzoyl]-methylsulfonyl-amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-(phenylmethoxymethyl)phenyl]-oxomethyl]-methylsulfonylamino]butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-(phenylmethoxymethyl)benzoyl]-methylsulfonylamino]butanoic acid Traditional Name: 2-[[4-(benzoxymethyl)-2-(o-tolyl)benzoyl]-mesyl-amino]butyric acid Formula: C27H29NO6S MolecularWeight: 495.58726

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(C(=O)C1=C(C=C(C=C1)COCC2=CC=CC=C2)C3=CC=CC=C3C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)O)N(C(=O)C1=C(C=C(C=C1)COCC2=CC=CC=C2)C3=CC=CC=C3C)S(=O)(=O)C

InChI

InChI=1S/C27H29NO6S/c1-4-25(27(30)31)28(35(3,32)33)26(29)23-15-14-21(18-34-17-20-11-6-5-7-12-20)16-24(23)22-13-9-8-10-19(22)2/h5-16,25H,4,17-18H2,1-3H3,(H,30,31)