tert-butyl (1S,2S,3R)-2-[bis(phenylmethyl)amino]-3-ethyl-cyclopentane-1-carboxylate

Systemtic Name: tert-butyl (1S,2S,3R)-2-[bis(phenylmethyl)amino]-3-ethyl-cyclopentane-1-carboxylate Openeye Name: tert-butyl (1S,2S,3R)-2-(dibenzylamino)-3-ethyl-cyclopentanecarboxylate CAS Name: (1S,2S,3R)-2-[bis(phenylmethyl)amino]-3-ethyl-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,2S,3R)-2-(dibenzylamino)-3-ethylcyclopentane-1-carboxylate Traditional Name: (1S,2S,3R)-2-(dibenzylamino)-3-ethyl-cyclopentanecarboxylic acid tert-butyl ester Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(C1N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@@H]1CC[C@@H]([C@H]1N(CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H35NO2/c1-5-22-16-17-23(25(28)29-26(2,3)4)24(22)27(18-20-12-8-6-9-13-20)19-21-14-10-7-11-15-21/h6-15,22-24H,5,16-19H2,1-4H3/t22-,23+,24+/m1/s1