[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 3-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate CAS Name: 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]propanoate Traditional Name: 3-[(3aS,7aS)-1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl]propionic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O

InChI

InChI=1S/C21H24N2O6/c1-2-28-15-9-7-14(8-10-15)22-18(24)13-29-19(25)11-12-23-20(26)16-5-3-4-6-17(16)21(23)27/h3-4,7-10,16-17H,2,5-6,11-13H2,1H3,(H,22,24)/t16-,17-/m0/s1