ethyl 5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-benzodioxole-2-carboxylate

Systemtic Name: ethyl 5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-benzodioxole-2-carboxylate Openeye Name: ethyl 5-[4-[2-(4-piperidyl)ethyl]piperazin-1-yl]-1,3-benzodioxole-2-carboxylate CAS Name: 5-[4-[2-(4-piperidinyl)ethyl]-1-piperazinyl]-1,3-benzodioxole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]-1,3-benzodioxole-2-carboxylate Traditional Name: 5-[4-[2-(4-piperidyl)ethyl]piperazino]-1,3-benzodioxole-2-carboxylic acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1OC2=C(O1)C=C(C=C2)N3CCN(CC3)CCC4CCNCC4

Isomeric SMILES

CCOC(=O)C1OC2=C(O1)C=C(C=C2)N3CCN(CC3)CCC4CCNCC4

InChI

InChI=1S/C21H31N3O4/c1-2-26-20(25)21-27-18-4-3-17(15-19(18)28-21)24-13-11-23(12-14-24)10-7-16-5-8-22-9-6-16/h3-4,15-16,21-22H,2,5-14H2,1H3