5-oxidanylidene-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoate

Systemtic Name: 5-oxidanylidene-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoate Openeye Name: 5-oxo-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoate CAS Name: 5-oxo-5-[4-(2,4,6-trimethylphenyl)-1-piperazinyl]pentanoate IUPAC Name: 5-oxo-5-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]pentanoate Traditional Name: 5-keto-5-(4-mesitylpiperazino)valerate Formula: C18H25N2O3- MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2CCN(CC2)C(=O)CCCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2CCN(CC2)C(=O)CCCC(=O)[O-])C

InChI

InChI=1S/C18H26N2O3/c1-13-11-14(2)18(15(3)12-13)20-9-7-19(8-10-20)16(21)5-4-6-17(22)23/h11-12H,4-10H2,1-3H3,(H,22,23)/p-1