methyl 3-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoate

Systemtic Name: methyl 3-[5-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoate Openeye Name: methyl 3-(5-amino-1,3-dioxo-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoate CAS Name: 3-(5-amino-1,3-dioxo-2-isoindolyl)-3-(3-ethoxy-4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(5-amino-1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoate Traditional Name: 3-(5-amino-1,3-diketo-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propionic acid methyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6/c1-4-29-18-9-12(5-8-17(18)27-2)16(11-19(24)28-3)23-20(25)14-7-6-13(22)10-15(14)21(23)26/h5-10,16H,4,11,22H2,1-3H3