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

Systemtic Name: dodecyl 2-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: dodecyl 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 dodecyl ester IUPAC Name: dodecyl 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 lauryl ester Formula: C27H39ClN2O4 MolecularWeight: 491.06256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClN2O4/c1-2-3-4-5-6-7-8-9-10-11-20-34-26(32)21-24-27(33)29-18-19-30(24)25(31)17-14-22-12-15-23(28)16-13-22/h12-17,24H,2-11,18-21H2,1H3,(H,29,33)/b17-14+