4-[[3-[(3-methylphenyl)carbamoyl]-4-morpholin-4-yl-phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[(3-methylphenyl)carbamoyl]-4-morpholin-4-yl-phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-morpholino-3-(m-tolylcarbamoyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[(3-methylanilino)-oxomethyl]-4-(4-morpholinyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[(3-methylphenyl)carbamoyl]-4-morpholin-4-ylanilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-morpholino-3-(m-tolylcarbamoyl)anilino]butyric acid Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c1-15-3-2-4-16(13-15)24-22(29)18-14-17(23-20(26)7-8-21(27)28)5-6-19(18)25-9-11-30-12-10-25/h2-6,13-14H,7-12H2,1H3,(H,23,26)(H,24,29)(H,27,28)