methyl (Z)-3-(1-oxidanylcyclohexyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]prop-2-enoate

Systemtic Name: methyl (Z)-3-(1-oxidanylcyclohexyl)-3-[4-(phenylcarbonyl)piperazin-1-yl]prop-2-enoate Openeye Name: methyl (Z)-3-(4-benzoylpiperazin-1-yl)-3-(1-hydroxycyclohexyl)prop-2-enoate CAS Name: (Z)-3-(4-benzoyl-1-piperazinyl)-3-(1-hydroxycyclohexyl)-2-propenoic acid methyl ester IUPAC Name: methyl (Z)-3-(4-benzoylpiperazin-1-yl)-3-(1-hydroxycyclohexyl)prop-2-enoate Traditional Name: (Z)-3-(4-benzoylpiperazino)-3-(1-hydroxycyclohexyl)acrylic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C(C1(CCCCC1)O)N2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C(/C1(CCCCC1)O)\N2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H28N2O4/c1-27-19(24)16-18(21(26)10-6-3-7-11-21)22-12-14-23(15-13-22)20(25)17-8-4-2-5-9-17/h2,4-5,8-9,16,26H,3,6-7,10-15H2,1H3/b18-16-