ethyl (E)-3-[2-[(3R)-2-oxidanylidene-3-(2-piperidin-4-ylethyl)piperidin-1-yl]ethanoylamino]-4-tritio-but-2-enoate

Systemtic Name: ethyl (E)-3-[2-[(3R)-2-oxidanylidene-3-(2-piperidin-4-ylethyl)piperidin-1-yl]ethanoylamino]-4-tritio-but-2-enoate Openeye Name: ethyl (E)-3-[[2-[(3R)-2-oxo-3-[2-(4-piperidyl)ethyl]-1-piperidyl]acetyl]amino]-4-tritio-but-2-enoate CAS Name: (E)-3-[[1-oxo-2-[(3R)-2-oxo-3-[2-(4-piperidinyl)ethyl]-1-piperidinyl]ethyl]amino]-4-tritio-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[[2-[(3R)-2-oxo-3-(2-piperidin-4-ylethyl)piperidin-1-yl]acetyl]amino]-4-tritiobut-2-enoate Traditional Name: (E)-3-[[2-[(3R)-2-keto-3-[2-(4-piperidyl)ethyl]piperidino]acetyl]amino]-4-tritio-but-2-enoic acid ethyl ester Formula: C20H33N3O4 MolecularWeight: 381.501829

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC(=O)CN1CCCC(C1=O)CCC2CCNCC2

Isomeric SMILES

[3H]C/C(=C\C(=O)OCC)/NC(=O)CN1CCC[C@H](C1=O)CCC2CCNCC2

InChI

InChI=1S/C20H33N3O4/c1-3-27-19(25)13-15(2)22-18(24)14-23-12-4-5-17(20(23)26)7-6-16-8-10-21-11-9-16/h13,16-17,21H,3-12,14H2,1-2H3,(H,22,24)/b15-13+/t17-/m0/s1/i2T