ethyl 4-[4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]butanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbonyl)amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-carbonyl)amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28ClN3O6 MolecularWeight: 453.91652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C21H28ClN3O6/c1-2-29-21(28)25-8-5-15(6-9-25)24-18(26)4-3-7-23-20(27)14-12-16(22)19-17(13-14)30-10-11-31-19/h12-13,15H,2-11H2,1H3,(H,23,27)(H,24,26)