(5S)-2-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyliminomethyl]-3-oxidanylidene-5-phenyl-cyclohexen-1-olate

Systemtic Name: (5S)-2-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyliminomethyl]-3-oxidanylidene-5-phenyl-cyclohexen-1-olate Openeye Name: (5S)-2-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyliminomethyl]-3-oxo-5-phenyl-cyclohexen-1-olate CAS Name: (5S)-2-[2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]ethyliminomethyl]-3-oxo-5-phenyl-1-cyclohexenolate IUPAC Name: (5S)-2-[2-[4-(3-methylbutanoyl)piperazin-1-yl]ethyliminomethyl]-3-oxo-5-phenylcyclohexen-1-olate Traditional Name: (5S)-2-[2-(4-isovalerylpiperazino)ethyliminomethyl]-3-keto-5-phenyl-cyclohexen-1-olate Formula: C24H32N3O3- MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)CCN=CC2=C(CC(CC2=O)C3=CC=CC=C3)[O-]

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)CCN=CC2=C(C[C@@H](CC2=O)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C24H33N3O3/c1-18(2)14-24(30)27-12-10-26(11-13-27)9-8-25-17-21-22(28)15-20(16-23(21)29)19-6-4-3-5-7-19/h3-7,17-18,20,28H,8-16H2,1-2H3/p-1/t20-/m0/s1