ethyl (2R)-2-cyclohexyl-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propanoate

Systemtic Name: ethyl (2R)-2-cyclohexyl-3-oxidanylidene-3-[4-(phenylmethyl)piperazin-1-yl]propanoate Openeye Name: ethyl (2R)-3-(4-benzylpiperazin-1-yl)-2-cyclohexyl-3-oxo-propanoate CAS Name: (2R)-2-cyclohexyl-3-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-3-(4-benzylpiperazin-1-yl)-2-cyclohexyl-3-oxopropanoate Traditional Name: (2R)-3-(4-benzylpiperazino)-2-cyclohexyl-3-keto-propionic acid ethyl ester Formula: C22H32N2O3 MolecularWeight: 372.50108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCCCC1)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](C1CCCCC1)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H32N2O3/c1-2-27-22(26)20(19-11-7-4-8-12-19)21(25)24-15-13-23(14-16-24)17-18-9-5-3-6-10-18/h3,5-6,9-10,19-20H,2,4,7-8,11-17H2,1H3/t20-/m1/s1