2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; N-methyl-N-phenylmethoxy-methanamine

Systemtic Name: 2-[[4-methyl-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid; N-methyl-N-phenylmethoxy-methanamine Openeye Name: N-benzyloxy-N-methyl-methanamine; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-methyl-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid; N-methyl-N-phenylmethoxymethanamine IUPAC Name: 2-[[4-methyl-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid; N-methyl-N-phenylmethoxymethanamine Traditional Name: benzoxy(dimethyl)amine; 2-[[4-methyl-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C29H36N2O4S MolecularWeight: 508.67214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.CN(C)OCC1=CC=CC=C1

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(CCSC)C(=O)O)C2=CC=CC=C2C.CN(C)OCC1=CC=CC=C1

InChI

InChI=1S/C20H23NO3S.C9H13NO/c1-13-8-9-16(17(12-13)15-7-5-4-6-14(15)2)19(22)21-18(20(23)24)10-11-25-3;1-10(2)11-8-9-6-4-3-5-7-9/h4-9,12,18H,10-11H2,1-3H3,(H,21,22)(H,23,24);3-7H,8H2,1-2H3