methyl 2-(4-bromophenyl)carbonylimino-4-piperidin-1-yl-but-3-ynoate

Systemtic Name: methyl 2-(4-bromophenyl)carbonylimino-4-piperidin-1-yl-but-3-ynoate Openeye Name: methyl 2-(4-bromobenzoyl)imino-4-(1-piperidyl)but-3-ynoate CAS Name: 2-[(4-bromophenyl)-oxomethyl]imino-4-(1-piperidinyl)-3-butynoic acid methyl ester IUPAC Name: methyl 2-(4-bromobenzoyl)imino-4-piperidin-1-ylbut-3-ynoate Traditional Name: 2-(4-bromobenzoyl)imino-4-piperidino-but-3-ynoic acid methyl ester Formula: C17H17BrN2O3 MolecularWeight: 377.23248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=NC(=O)C1=CC=C(C=C1)Br)C#CN2CCCCC2

Isomeric SMILES

COC(=O)C(=NC(=O)C1=CC=C(C=C1)Br)C#CN2CCCCC2

InChI

InChI=1S/C17H17BrN2O3/c1-23-17(22)15(9-12-20-10-3-2-4-11-20)19-16(21)13-5-7-14(18)8-6-13/h5-8H,2-4,10-11H2,1H3