ethyl 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]piperidine-3-carboxylate CAS Name: 1-[[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)amino]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]piperidine-3-carboxylate Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)carbamoyl]nipecotic acid ethyl ester Formula: C17H21BrN2O5 MolecularWeight: 413.26304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)NC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)NC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C17H21BrN2O5/c1-2-23-16(21)11-4-3-5-20(10-11)17(22)19-13-9-15-14(8-12(13)18)24-6-7-25-15/h8-9,11H,2-7,10H2,1H3,(H,19,22)