2-(aminocarbonylamino)-3-[3,5-bis(chloranyl)-4-methyl-2-oxidanyl-phenyl]-4-methyl-pentanoic acid

Systemtic Name: 2-(aminocarbonylamino)-3-[3,5-bis(chloranyl)-4-methyl-2-oxidanyl-phenyl]-4-methyl-pentanoic acid Openeye Name: 3-(3,5-dichloro-2-hydroxy-4-methyl-phenyl)-4-methyl-2-ureido-pentanoic acid CAS Name: 2-(carbamoylamino)-3-(3,5-dichloro-2-hydroxy-4-methylphenyl)-4-methylpentanoic acid IUPAC Name: 2-(carbamoylamino)-3-(3,5-dichloro-2-hydroxy-4-methylphenyl)-4-methylpentanoic acid Traditional Name: 3-(3,5-dichloro-2-hydroxy-4-methyl-phenyl)-4-methyl-2-ureido-valeric acid Formula: C14H18Cl2N2O4 MolecularWeight: 349.20972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1Cl)O)C(C(C)C)C(C(=O)O)NC(=O)N)Cl

Isomeric SMILES

CC1=C(C=C(C(=C1Cl)O)C(C(C)C)C(C(=O)O)NC(=O)N)Cl

InChI

InChI=1S/C14H18Cl2N2O4/c1-5(2)9(11(13(20)21)18-14(17)22)7-4-8(15)6(3)10(16)12(7)19/h4-5,9,11,19H,1-3H3,(H,20,21)(H3,17,18,22)