ethyl 3-[5-azanyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: ethyl 3-[5-azanyl-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-(3,4-dimethoxyphenyl)propanoate Openeye Name: ethyl 3-(5-amino-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(5-amino-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(3,4-dimethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(5-amino-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(5-amino-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-3-(3,4-dimethoxyphenyl)propionic acid ethyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=C(C=C1)OC)OC)N2C(=O)C3CCC(CC3C2=O)N

Isomeric SMILES

CCOC(=O)CC(C1=CC(=C(C=C1)OC)OC)N2C(=O)C3CCC(CC3C2=O)N

InChI

InChI=1S/C21H28N2O6/c1-4-29-19(24)11-16(12-5-8-17(27-2)18(9-12)28-3)23-20(25)14-7-6-13(22)10-15(14)21(23)26/h5,8-9,13-16H,4,6-7,10-11,22H2,1-3H3