2-methylpropyl 2-[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isobutyl 2-[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(E)-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[1-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(E)-3-p-phenetylacryloyl]piperazin-2-yl]acetic acid isobutyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)N2CCNC(=O)C2CC(=O)OCC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)N2CCNC(=O)C2CC(=O)OCC(C)C

InChI

InChI=1S/C21H28N2O5/c1-4-27-17-8-5-16(6-9-17)7-10-19(24)23-12-11-22-21(26)18(23)13-20(25)28-14-15(2)3/h5-10,15,18H,4,11-14H2,1-3H3,(H,22,26)/b10-7+