2-[[3-[(6-chloranylpyridin-3-yl)carbonylamino]-4-methyl-phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-[(6-chloranylpyridin-3-yl)carbonylamino]-4-methyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-[(6-chloropyridine-3-carbonyl)amino]-4-methyl-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[3-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-4-methylphenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[(6-chloropyridine-3-carbonyl)amino]-4-methylbenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-[(6-chloronicotinoyl)amino]-4-methyl-benzoyl]amino]-4-methyl-valeric acid Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C20H22ClN3O4/c1-11(2)8-16(20(27)28)24-18(25)13-5-4-12(3)15(9-13)23-19(26)14-6-7-17(21)22-10-14/h4-7,9-11,16H,8H2,1-3H3,(H,23,26)(H,24,25)(H,27,28)