N-butyl-5-[[5-(3-cyanopropoxy)-1,3-dihydroisoindol-2-yl]carbonyl]-N-methyl-2,4-bis(oxidanyl)benzamide

Systemtic Name: N-butyl-5-[[5-(3-cyanopropoxy)-1,3-dihydroisoindol-2-yl]carbonyl]-N-methyl-2,4-bis(oxidanyl)benzamide Openeye Name: N-butyl-5-[5-(3-cyanopropoxy)isoindoline-2-carbonyl]-2,4-dihydroxy-N-methyl-benzamide CAS Name: N-butyl-5-[[5-(3-cyanopropoxy)-1,3-dihydroisoindol-2-yl]-oxomethyl]-2,4-dihydroxy-N-methylbenzamide IUPAC Name: N-butyl-5-[5-(3-cyanopropoxy)-1,3-dihydroisoindole-2-carbonyl]-2,4-dihydroxy-N-methylbenzamide Traditional Name: N-butyl-5-[5-(3-cyanopropoxy)isoindoline-2-carbonyl]-2,4-dihydroxy-N-methyl-benzamide Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1=C(C=C(C(=C1)C(=O)N2CC3=C(C2)C=C(C=C3)OCCCC#N)O)O

Isomeric SMILES

CCCCN(C)C(=O)C1=C(C=C(C(=C1)C(=O)N2CC3=C(C2)C=C(C=C3)OCCCC#N)O)O

InChI

InChI=1S/C25H29N3O5/c1-3-4-10-27(2)24(31)20-13-21(23(30)14-22(20)29)25(32)28-15-17-7-8-19(12-18(17)16-28)33-11-6-5-9-26/h7-8,12-14,29-30H,3-6,10-11,15-16H2,1-2H3