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

Systemtic Name: ethyl 4-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)carbonylamino]butanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]butanoylamino]piperidine-1-carboxylate CAS Name: 4-[[4-[[(7-chloro-1,3-benzodioxol-5-yl)-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(7-chloro-1,3-benzodioxole-5-carbonyl)amino]butanoylamino]piperidine-1-carboxylate Traditional Name: 4-[4-[(7-chloropiperonyloyl)amino]butanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C20H26ClN3O6 MolecularWeight: 439.88994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C20H26ClN3O6/c1-2-28-20(27)24-8-5-14(6-9-24)23-17(25)4-3-7-22-19(26)13-10-15(21)18-16(11-13)29-12-30-18/h10-11,14H,2-9,12H2,1H3,(H,22,26)(H,23,25)