ethyl 4-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-1-oxo-isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-oxomethyl]-3-oxo-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-3-oxo-1H-isoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[7-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylcarbamoyl]-1-keto-isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC(C)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC(C)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C27H31N3O6/c1-3-34-27(33)29-11-9-20(10-12-29)30-16-19-5-4-6-21(24(19)26(30)32)25(31)28-17(2)18-7-8-22-23(15-18)36-14-13-35-22/h4-8,15,17,20H,3,9-14,16H2,1-2H3,(H,28,31)