butyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: butyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: butyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-1-piperazinecarboxylic acid butyl ester IUPAC Name: butyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]piperazine-1-carboxylic acid butyl ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCOC(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H29N3O5/c1-2-3-8-28-20(25)23-7-6-21-16(14-23)12-19(24)22-13-15-4-5-17-18(11-15)27-10-9-26-17/h4-5,11,16,21H,2-3,6-10,12-14H2,1H3,(H,22,24)