tert-butyl N-[(1R,3S)-3-[[(4-cyanophenyl)amino]methyl]cyclopentyl]carbamate

Systemtic Name: tert-butyl N-[(1R,3S)-3-[[(4-cyanophenyl)amino]methyl]cyclopentyl]carbamate Openeye Name: tert-butyl N-[(1R,3S)-3-[(4-cyanoanilino)methyl]cyclopentyl]carbamate CAS Name: N-[(1R,3S)-3-[(4-cyanoanilino)methyl]cyclopentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R,3S)-3-[(4-cyanoanilino)methyl]cyclopentyl]carbamate Traditional Name: N-[(1R,3S)-3-[(4-cyanoanilino)methyl]cyclopentyl]carbamic acid tert-butyl ester Formula: C18H25N3O2 MolecularWeight: 315.41

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC(C1)CNC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)CNC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H25N3O2/c1-18(2,3)23-17(22)21-16-9-6-14(10-16)12-20-15-7-4-13(11-19)5-8-15/h4-5,7-8,14,16,20H,6,9-10,12H2,1-3H3,(H,21,22)/t14-,16+/m0/s1