3-[4-acetamido-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoic acid

Systemtic Name: 3-[4-acetamido-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoic acid Openeye Name: 3-(4-acetamido-1,3-dioxo-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoic acid CAS Name: 3-(4-acetamido-1,3-dioxo-2-isoindolyl)-3-(3-ethoxy-4-methoxyphenyl)propanoic acid IUPAC Name: 3-(4-acetamido-1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoic acid Traditional Name: 3-(4-acetamido-1,3-diketo-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionic acid Formula: C22H22N2O7 MolecularWeight: 426.41928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(CC(=O)O)N2C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C)OC

InChI

InChI=1S/C22H22N2O7/c1-4-31-18-10-13(8-9-17(18)30-3)16(11-19(26)27)24-21(28)14-6-5-7-15(23-12(2)25)20(14)22(24)29/h5-10,16H,4,11H2,1-3H3,(H,23,25)(H,26,27)