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

Systemtic Name: 5-[[3-[(3-chloranyl-4-methyl-phenyl)carbamoyl]-4-morpholin-4-yl-phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-[(3-chloro-4-methyl-phenyl)carbamoyl]-4-morpholino-anilino]-5-oxo-pentanoic acid CAS Name: 5-[3-[(3-chloro-4-methylanilino)-oxomethyl]-4-(4-morpholinyl)anilino]-5-oxopentanoic acid IUPAC Name: 5-[3-[(3-chloro-4-methylphenyl)carbamoyl]-4-morpholin-4-ylanilino]-5-oxopentanoic acid Traditional Name: 5-[3-[(3-chloro-4-methyl-phenyl)carbamoyl]-4-morpholino-anilino]-5-keto-valeric acid Formula: C23H26ClN3O5 MolecularWeight: 459.92264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O5/c1-15-5-6-17(14-19(15)24)26-23(31)18-13-16(25-21(28)3-2-4-22(29)30)7-8-20(18)27-9-11-32-12-10-27/h5-8,13-14H,2-4,9-12H2,1H3,(H,25,28)(H,26,31)(H,29,30)