methyl 2-[3-oxidanylidene-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[3-oxidanylidene-1-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[oxo-[1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinyl]methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[1-[(E)-3-phenylacryloyl]isonipecotoyl]piperazin-2-yl]acetic acid methyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O5/c1-30-20(27)15-18-21(28)23-11-14-25(18)22(29)17-9-12-24(13-10-17)19(26)8-7-16-5-3-2-4-6-16/h2-8,17-18H,9-15H2,1H3,(H,23,28)/b8-7+