2-[[3-[(3-chlorophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-[(3-chlorophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-[(3-chlorobenzoyl)amino]-4-methyl-benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[3-[[(3-chlorophenyl)-oxomethyl]amino]-4-methylphenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[(3-chlorobenzoyl)amino]-4-methylbenzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-[(3-chlorobenzoyl)amino]-4-methyl-benzoyl]amino]-4-methyl-valeric acid Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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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=CC(=CC=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-12(2)9-18(21(27)28)24-20(26)15-8-7-13(3)17(11-15)23-19(25)14-5-4-6-16(22)10-14/h4-8,10-12,18H,9H2,1-3H3,(H,23,25)(H,24,26)(H,27,28)