tert-butyl (1S,2S,3S)-2-[[(1S)-1-phenylethyl]amino]-3-propan-2-yl-cyclopentane-1-carboxylate

Systemtic Name: tert-butyl (1S,2S,3S)-2-[[(1S)-1-phenylethyl]amino]-3-propan-2-yl-cyclopentane-1-carboxylate Openeye Name: tert-butyl (1S,2S,3S)-3-isopropyl-2-[[(1S)-1-phenylethyl]amino]cyclopentanecarboxylate CAS Name: (1S,2S,3S)-2-[[(1S)-1-phenylethyl]amino]-3-propan-2-yl-1-cyclopentanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,2S,3S)-2-[[(1S)-1-phenylethyl]amino]-3-propan-2-ylcyclopentane-1-carboxylate Traditional Name: (1S,2S,3S)-3-isopropyl-2-[[(1S)-1-phenylethyl]amino]cyclopentanecarboxylic acid tert-butyl ester Formula: C21H33NO2 MolecularWeight: 331.49222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(C1NC(C)C2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N[C@H]2[C@@H](CC[C@@H]2C(=O)OC(C)(C)C)C(C)C

InChI

InChI=1S/C21H33NO2/c1-14(2)17-12-13-18(20(23)24-21(4,5)6)19(17)22-15(3)16-10-8-7-9-11-16/h7-11,14-15,17-19,22H,12-13H2,1-6H3/t15-,17-,18-,19-/m0/s1