[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(benzotriazol-1-yl)-2-piperidin-1-yl-ethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (2S)-2-(benzotriazol-1-yl)-2-piperidin-1-yl-ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (2S)-2-(benzotriazol-1-yl)-2-(1-piperidyl)acetate CAS Name: (2S)-2-(1-benzotriazolyl)-2-(1-piperidinyl)acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-2-(benzotriazol-1-yl)-2-piperidin-1-ylacetate Traditional Name: (2S)-2-(benzotriazol-1-yl)-2-piperidino-acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H34N4O2 MolecularWeight: 398.54166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(N2CCCCC2)N3C4=CC=CC=C4N=N3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)[C@@H](N2CCCCC2)N3C4=CC=CC=C4N=N3)C(C)C

InChI

InChI=1S/C23H34N4O2/c1-16(2)18-12-11-17(3)15-21(18)29-23(28)22(26-13-7-4-8-14-26)27-20-10-6-5-9-19(20)24-25-27/h5-6,9-10,16-18,21-22H,4,7-8,11-15H2,1-3H3/t17-,18+,21-,22-/m0/s1