4-[3-morpholin-4-yl-5-(phenylmethyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[3-morpholin-4-yl-5-(phenylmethyl)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-(3-benzyl-5-morpholino-phenyl)-2,4-dioxo-butanoic acid CAS Name: 4-[3-(4-morpholinyl)-5-(phenylmethyl)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-(3-benzyl-5-morpholin-4-ylphenyl)-2,4-dioxobutanoic acid Traditional Name: 4-(3-benzyl-5-morpholino-phenyl)-2,4-diketo-butyric acid Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC(=CC(=C2)CC3=CC=CC=C3)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1COCCN1C2=CC(=CC(=C2)CC3=CC=CC=C3)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C21H21NO5/c23-19(14-20(24)21(25)26)17-11-16(10-15-4-2-1-3-5-15)12-18(13-17)22-6-8-27-9-7-22/h1-5,11-13H,6-10,14H2,(H,25,26)