iodanylmethane; [3-(2-pyrrolidin-1-ylcyclohexyl)phenyl] butanoate

Systemtic Name: iodanylmethane; [3-(2-pyrrolidin-1-ylcyclohexyl)phenyl] butanoate Openeye Name: iodomethane; [3-(2-pyrrolidin-1-ylcyclohexyl)phenyl] butanoate CAS Name: butanoic acid [3-[2-(1-pyrrolidinyl)cyclohexyl]phenyl] ester; iodomethane IUPAC Name: iodomethane; [3-(2-pyrrolidin-1-ylcyclohexyl)phenyl] butanoate Traditional Name: butyric acid [3-(2-pyrrolidinocyclohexyl)phenyl] ester; iodomethane Formula: C21H32INO2 MolecularWeight: 457.38875

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC(=C1)C2CCCCC2N3CCCC3.CI

Isomeric SMILES

CCCC(=O)OC1=CC=CC(=C1)C2CCCCC2N3CCCC3.CI

InChI

InChI=1S/C20H29NO2.CH3I/c1-2-8-20(22)23-17-10-7-9-16(15-17)18-11-3-4-12-19(18)21-13-5-6-14-21;1-2/h7,9-10,15,18-19H,2-6,8,11-14H2,1H3;1H3