methyl 3-[4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4-pyrrolidin-1-yl-benzoate

Systemtic Name: methyl 3-[4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]butanoylamino]-4-pyrrolidin-1-yl-benzoate Openeye Name: methyl 3-[4-(5-methyl-1,3-dioxo-isoindolin-2-yl)butanoylamino]-4-pyrrolidin-1-yl-benzoate CAS Name: 3-[[4-(5-methyl-1,3-dioxo-2-isoindolyl)-1-oxobutyl]amino]-4-(1-pyrrolidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-methyl-1,3-dioxoisoindol-2-yl)butanoylamino]-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-[4-(1,3-diketo-5-methyl-isoindolin-2-yl)butanoylamino]-4-pyrrolidino-benzoic acid methyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=C(C=CC(=C3)C(=O)OC)N4CCCC4

InChI

InChI=1S/C25H27N3O5/c1-16-7-9-18-19(14-16)24(31)28(23(18)30)13-5-6-22(29)26-20-15-17(25(32)33-2)8-10-21(20)27-11-3-4-12-27/h7-10,14-15H,3-6,11-13H2,1-2H3,(H,26,29)