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

Systemtic Name: methyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[(2-phthalimidoacetyl)amino]-4-pyrrolidino-benzoic acid methyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21N3O5/c1-30-22(29)14-8-9-18(24-10-4-5-11-24)17(12-14)23-19(26)13-25-20(27)15-6-2-3-7-16(15)21(25)28/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,23,26)