2-[2-(2,2-dicyclohexylethyl)piperidin-1-yl]ethyl N-[(4-nitrophenyl)methyl]carbamate

Systemtic Name: 2-[2-(2,2-dicyclohexylethyl)piperidin-1-yl]ethyl N-[(4-nitrophenyl)methyl]carbamate Openeye Name: 2-[2-(2,2-dicyclohexylethyl)-1-piperidyl]ethyl N-[(4-nitrophenyl)methyl]carbamate CAS Name: N-[(4-nitrophenyl)methyl]carbamic acid 2-[2-(2,2-dicyclohexylethyl)-1-piperidinyl]ethyl ester IUPAC Name: 2-[2-(2,2-dicyclohexylethyl)piperidin-1-yl]ethyl N-[(4-nitrophenyl)methyl]carbamate Traditional Name: N-(4-nitrobenzyl)carbamic acid 2-[2-(2,2-dicyclohexylethyl)piperidino]ethyl ester Formula: C29H45N3O4 MolecularWeight: 499.6853

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC2CCCCN2CCOC(=O)NCC3=CC=C(C=C3)[N+](=O)[O-])C4CCCCC4

Isomeric SMILES

C1CCC(CC1)C(CC2CCCCN2CCOC(=O)NCC3=CC=C(C=C3)[N+](=O)[O-])C4CCCCC4

InChI

InChI=1S/C29H45N3O4/c33-29(30-22-23-14-16-26(17-15-23)32(34)35)36-20-19-31-18-8-7-13-27(31)21-28(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h14-17,24-25,27-28H,1-13,18-22H2,(H,30,33)