3-[[3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-6-(4-methylphenyl)hexanoic acid

Systemtic Name: 3-[[3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-6-(4-methylphenyl)hexanoic acid Openeye Name: 3-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-6-(p-tolyl)hexanoic acid CAS Name: 3-[[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-6-(4-methylphenyl)hexanoic acid IUPAC Name: 3-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6-(4-methylphenyl)hexanoic acid Traditional Name: 3-[[2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-6-(p-tolyl)hexanoic acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCC(CC(=O)O)C(=O)NC(C(=O)NC)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CCCC(CC(=O)O)C(=O)NC(C(=O)NC)C(C)(C)C

InChI

InChI=1S/C21H32N2O4/c1-14-9-11-15(12-10-14)7-6-8-16(13-17(24)25)19(26)23-18(20(27)22-5)21(2,3)4/h9-12,16,18H,6-8,13H2,1-5H3,(H,22,27)(H,23,26)(H,24,25)