[(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(3-heptoxyphenyl)carbamate

Systemtic Name: [(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(3-heptoxyphenyl)carbamate Openeye Name: [(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(3-heptoxyphenyl)carbamate CAS Name: N-(3-heptoxyphenyl)carbamic acid [(1R,2S)-2-(1-pyrrolidinylmethyl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(pyrrolidin-1-ylmethyl)cyclohexyl] N-(3-heptoxyphenyl)carbamate Traditional Name: N-(3-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(=C1)NC(=O)OC2CCCCC2CN3CCCC3

Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)NC(=O)O[C@@H]2CCCC[C@H]2CN3CCCC3

InChI

InChI=1S/C25H40N2O3/c1-2-3-4-5-10-18-29-23-14-11-13-22(19-23)26-25(28)30-24-15-7-6-12-21(24)20-27-16-8-9-17-27/h11,13-14,19,21,24H,2-10,12,15-18,20H2,1H3,(H,26,28)/t21-,24+/m0/s1