methyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-(3-phthalimidopropanoylamino)-4-pyrrolidino-benzoic acid methyl ester Formula: C23H23N3O5 MolecularWeight: 421.44582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H23N3O5/c1-31-23(30)15-8-9-19(25-11-4-5-12-25)18(14-15)24-20(27)10-13-26-21(28)16-6-2-3-7-17(16)22(26)29/h2-3,6-9,14H,4-5,10-13H2,1H3,(H,24,27)