methyl 3-[4-azanyl-1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]-3-(3,4-diethoxyphenyl)propanoate

Systemtic Name: methyl 3-[4-azanyl-1,3-bis(oxidanylidene)-4,5,6,7-tetrahydroisoindol-2-yl]-3-(3,4-diethoxyphenyl)propanoate Openeye Name: methyl 3-(4-amino-1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-3-(3,4-diethoxyphenyl)propanoate CAS Name: 3-(4-amino-1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-3-(3,4-diethoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-amino-1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-3-(3,4-diethoxyphenyl)propanoate Traditional Name: 3-(4-amino-1,3-diketo-4,5,6,7-tetrahydroisoindol-2-yl)-3-(3,4-diethoxyphenyl)propionic acid methyl ester Formula: C22H28N2O6 MolecularWeight: 416.46752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)OC)N2C(=O)C3=C(C2=O)C(CCC3)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)OC)N2C(=O)C3=C(C2=O)C(CCC3)N)OCC

InChI

InChI=1S/C22H28N2O6/c1-4-29-17-10-9-13(11-18(17)30-5-2)16(12-19(25)28-3)24-21(26)14-7-6-8-15(23)20(14)22(24)27/h9-11,15-16H,4-8,12,23H2,1-3H3