(4-nitrophenyl)methyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]ethanoate Openeye Name: (4-nitrophenyl)methyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate CAS Name: 2-[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]acetate Traditional Name: 2-[4-hydroxy-3,5-bis(pyrrolidinomethyl)phenyl]acetic acid (4-nitrobenzyl) ester Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC(=C2O)CN3CCCC3)CC(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N3O5/c29-24(33-18-19-5-7-23(8-6-19)28(31)32)15-20-13-21(16-26-9-1-2-10-26)25(30)22(14-20)17-27-11-3-4-12-27/h5-8,13-14,30H,1-4,9-12,15-18H2