2-[[3,5-dimethyl-4-(3-morpholin-4-ylcarbonyl-4-oxidanyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[[3,5-dimethyl-4-(3-morpholin-4-ylcarbonyl-4-oxidanyl-phenoxy)phenyl]amino]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]-3,5-dimethyl-anilino]-2-oxo-acetic acid CAS Name: 2-[4-[4-hydroxy-3-[4-morpholinyl(oxo)methyl]phenoxy]-3,5-dimethylanilino]-2-oxoacetic acid IUPAC Name: 2-[4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]-3,5-dimethylanilino]-2-oxoacetic acid Traditional Name: 2-[4-[4-hydroxy-3-(morpholine-4-carbonyl)phenoxy]-3,5-dimethyl-anilino]-2-keto-acetic acid Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(=O)N3CCOCC3)C)NC(=O)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC(=C(C=C2)O)C(=O)N3CCOCC3)C)NC(=O)C(=O)O

InChI

InChI=1S/C21H22N2O7/c1-12-9-14(22-19(25)21(27)28)10-13(2)18(12)30-15-3-4-17(24)16(11-15)20(26)23-5-7-29-8-6-23/h3-4,9-11,24H,5-8H2,1-2H3,(H,22,25)(H,27,28)