3-phenylpropyl (2S)-1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)piperidine-2-carboxylate

Systemtic Name: 3-phenylpropyl (2S)-1-(2-cyclohexyl-2-oxidanylidene-ethanoyl)piperidine-2-carboxylate Openeye Name: 3-phenylpropyl (2S)-1-(2-cyclohexyl-2-oxo-acetyl)piperidine-2-carboxylate CAS Name: (2S)-1-(2-cyclohexyl-1,2-dioxoethyl)-2-piperidinecarboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (2S)-1-(2-cyclohexyl-2-oxoacetyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(2-cyclohexyl-2-keto-acetyl)pipecolinic acid 3-phenylpropyl ester Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(=O)N2CCCCC2C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)C(=O)N2CCCC[C@H]2C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C23H31NO4/c25-21(19-13-5-2-6-14-19)22(26)24-16-8-7-15-20(24)23(27)28-17-9-12-18-10-3-1-4-11-18/h1,3-4,10-11,19-20H,2,5-9,12-17H2/t20-/m0/s1