4-[[3-[(5-chloranyl-2-methyl-phenyl)carbamoyl]-4-morpholin-4-yl-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[(5-chloranyl-2-methyl-phenyl)carbamoyl]-4-morpholin-4-yl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[(5-chloro-2-methyl-phenyl)carbamoyl]-4-morpholino-anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[(5-chloro-2-methylanilino)-oxomethyl]-4-(4-morpholinyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[(5-chloro-2-methylphenyl)carbamoyl]-4-morpholin-4-ylanilino]-4-oxobutanoic acid Traditional Name: 4-[3-[(5-chloro-2-methyl-phenyl)carbamoyl]-4-morpholino-anilino]-4-keto-butyric acid Formula: C22H24ClN3O5 MolecularWeight: 445.89606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C=CC(=C2)NC(=O)CCC(=O)O)N3CCOCC3

InChI

InChI=1S/C22H24ClN3O5/c1-14-2-3-15(23)12-18(14)25-22(30)17-13-16(24-20(27)6-7-21(28)29)4-5-19(17)26-8-10-31-11-9-26/h2-5,12-13H,6-11H2,1H3,(H,24,27)(H,25,30)(H,28,29)