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

Systemtic Name: methyl 3-[4-azanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-(3-ethoxy-4-methoxy-phenyl)propanoate Openeye Name: methyl 3-(4-amino-1,3-dioxo-isoindolin-2-yl)-3-(3-ethoxy-4-methoxy-phenyl)propanoate CAS Name: 3-(4-amino-1,3-dioxo-2-isoindolyl)-3-(3-ethoxy-4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-amino-1,3-dioxoisoindol-2-yl)-3-(3-ethoxy-4-methoxyphenyl)propanoate Traditional Name: 3-(4-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(=CC=C3)N)OC

Isomeric SMILES

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

InChI

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