[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxo-butanoate CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-butyric acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC(=O)N3CCC(CC3)C(=O)N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)OCC(=O)N3CCC(CC3)C(=O)N)OC1

InChI

InChI=1S/C21H26N2O7/c22-21(27)14-6-8-23(9-7-14)19(25)13-30-20(26)5-3-16(24)15-2-4-17-18(12-15)29-11-1-10-28-17/h2,4,12,14H,1,3,5-11,13H2,(H2,22,27)