butyl 3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: butyl 3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidin-3-yl]carbonylamino]propanoate Openeye Name: butyl 3-[[1-[(E)-3-(4-piperidyl)prop-2-enoyl]piperidine-3-carbonyl]amino]propanoate CAS Name: 3-[[oxo-[1-[(E)-1-oxo-3-(4-piperidinyl)prop-2-enyl]-3-piperidinyl]methyl]amino]propanoic acid butyl ester IUPAC Name: butyl 3-[[1-[(E)-3-piperidin-4-ylprop-2-enoyl]piperidine-3-carbonyl]amino]propanoate Traditional Name: 3-[[1-[(E)-3-(4-piperidyl)acryloyl]nipecotoyl]amino]propionic acid butyl ester Formula: C21H35N3O4 MolecularWeight: 393.5203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCNC(=O)C1CCCN(C1)C(=O)C=CC2CCNCC2

Isomeric SMILES

CCCCOC(=O)CCNC(=O)C1CCCN(C1)C(=O)/C=C/C2CCNCC2

InChI

InChI=1S/C21H35N3O4/c1-2-3-15-28-20(26)10-13-23-21(27)18-5-4-14-24(16-18)19(25)7-6-17-8-11-22-12-9-17/h6-7,17-18,22H,2-5,8-16H2,1H3,(H,23,27)/b7-6+