2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethyl (E)-3-azanylbut-2-enoate

Systemtic Name: 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethyl (E)-3-azanylbut-2-enoate Openeye Name: 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 2-[4-[(E)-1-oxo-3-phenylprop-2-enyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]ethyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 2-[4-[(E)-3-phenylacryloyl]piperazino]ethyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCCN1CCN(CC1)C(=O)C=CC2=CC=CC=C2)N

Isomeric SMILES

C/C(=C\C(=O)OCCN1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2)/N

InChI

InChI=1S/C19H25N3O3/c1-16(20)15-19(24)25-14-13-21-9-11-22(12-10-21)18(23)8-7-17-5-3-2-4-6-17/h2-8,15H,9-14,20H2,1H3/b8-7+,16-15+