[(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(2-heptoxyphenyl)carbamate

Systemtic Name: [(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(2-heptoxyphenyl)carbamate Openeye Name: [(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(2-heptoxyphenyl)carbamate CAS Name: N-(2-heptoxyphenyl)carbamic acid [(1R,2S)-2-(1-pyrrolidinylmethyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(2-heptoxyphenyl)carbamate Traditional Name: N-(2-heptoxyphenyl)carbamic acid [(1R,2S)-2-(pyrrolidinomethyl)cyclohexyl] ester Formula: C25H40N2O3 MolecularWeight: 416.5967

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC=C1NC(=O)OC2CCCCC2CN3CCCC3

Isomeric SMILES

CCCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2CCCC[C@H]2CN3CCCC3

InChI

InChI=1S/C25H40N2O3/c1-2-3-4-5-12-19-29-24-16-9-7-14-22(24)26-25(28)30-23-15-8-6-13-21(23)20-27-17-10-11-18-27/h7,9,14,16,21,23H,2-6,8,10-13,15,17-20H2,1H3,(H,26,28)/t21-,23+/m0/s1