butan-2-yl 4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)benzoate

Systemtic Name: butan-2-yl 4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)benzoate Openeye Name: sec-butyl 4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)benzoate CAS Name: 4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)benzoic acid butan-2-yl ester IUPAC Name: butan-2-yl 4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)benzoate Traditional Name: 4-hydroxy-3,5-bis(pyrrolidinomethyl)benzoic acid sec-butyl ester Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=CC(=C(C(=C1)CN2CCCC2)O)CN3CCCC3

Isomeric SMILES

CCC(C)OC(=O)C1=CC(=C(C(=C1)CN2CCCC2)O)CN3CCCC3

InChI

InChI=1S/C21H32N2O3/c1-3-16(2)26-21(25)17-12-18(14-22-8-4-5-9-22)20(24)19(13-17)15-23-10-6-7-11-23/h12-13,16,24H,3-11,14-15H2,1-2H3