tert-butyl 2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate

Systemtic Name: tert-butyl 2-(3-oxidanylidene-1,2-dihydroisoindol-4-yl)-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate Openeye Name: tert-butyl 2-(3-oxoisoindolin-4-yl)-5-[2-(1-piperidyl)ethoxy]indole-1-carboxylate CAS Name: 2-(3-oxo-1,2-dihydroisoindol-4-yl)-5-[2-(1-piperidinyl)ethoxy]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-oxo-1,2-dihydroisoindol-4-yl)-5-(2-piperidin-1-ylethoxy)indole-1-carboxylate Traditional Name: 2-(3-ketoisoindolin-4-yl)-5-(2-piperidinoethoxy)indole-1-carboxylic acid tert-butyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCCN3CCCCC3)C=C1C4=C5C(=CC=C4)CNC5=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)OCCN3CCCCC3)C=C1C4=C5C(=CC=C4)CNC5=O

InChI

InChI=1S/C28H33N3O4/c1-28(2,3)35-27(33)31-23-11-10-21(34-15-14-30-12-5-4-6-13-30)16-20(23)17-24(31)22-9-7-8-19-18-29-26(32)25(19)22/h7-11,16-17H,4-6,12-15,18H2,1-3H3,(H,29,32)