2-[[2-chloranyl-4-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-chloranyl-4-[(3,4-dimethoxyphenyl)carbonylamino]phenyl]carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[2-chloro-4-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-chloro-4-[(3,4-dimethoxybenzoyl)amino]benzoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-chloro-4-(veratroylamino)benzoyl]amino]-4-methyl-valeric acid Formula: C22H25ClN2O6 MolecularWeight: 448.8967

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O6/c1-12(2)9-17(22(28)29)25-21(27)15-7-6-14(11-16(15)23)24-20(26)13-5-8-18(30-3)19(10-13)31-4/h5-8,10-12,17H,9H2,1-4H3,(H,24,26)(H,25,27)(H,28,29)