pentan-3-yl (E)-5-[2-(4-methyl-2-oxidanylidene-piperazin-1-yl)butanoylamino]pent-3-enoate

Systemtic Name: pentan-3-yl (E)-5-[2-(4-methyl-2-oxidanylidene-piperazin-1-yl)butanoylamino]pent-3-enoate Openeye Name: 1-ethylpropyl (E)-5-[2-(4-methyl-2-oxo-piperazin-1-yl)butanoylamino]pent-3-enoate CAS Name: (E)-5-[[2-(4-methyl-2-oxo-1-piperazinyl)-1-oxobutyl]amino]-3-pentenoic acid pentan-3-yl ester IUPAC Name: pentan-3-yl (E)-5-[2-(4-methyl-2-oxopiperazin-1-yl)butanoylamino]pent-3-enoate Traditional Name: (E)-5-[2-(2-keto-4-methyl-piperazino)butanoylamino]pent-3-enoic acid 1-ethylpropyl ester Formula: C19H33N3O4 MolecularWeight: 367.48302

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC(=O)CC=CCNC(=O)C(CC)N1CCN(CC1=O)C

Isomeric SMILES

CCC(CC)OC(=O)C/C=C/CNC(=O)C(CC)N1CCN(CC1=O)C

InChI

InChI=1S/C19H33N3O4/c1-5-15(6-2)26-18(24)10-8-9-11-20-19(25)16(7-3)22-13-12-21(4)14-17(22)23/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,20,25)/b9-8+