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

Systemtic Name: 3-methylbutyl 2-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(E)-3-(4-chlorophenyl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(E)-3-(4-chlorophenyl)acryloyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C20H25ClN2O4 MolecularWeight: 392.8765

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)C=CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=O)/C=C/C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H25ClN2O4/c1-14(2)9-12-27-19(25)13-17-20(26)22-10-11-23(17)18(24)8-5-15-3-6-16(21)7-4-15/h3-8,14,17H,9-13H2,1-2H3,(H,22,26)/b8-5+