3-[3,5-bis(morpholin-4-ylmethyl)-4-oxidanyl-phenyl]carbonylbenzoic acid

Systemtic Name: 3-[3,5-bis(morpholin-4-ylmethyl)-4-oxidanyl-phenyl]carbonylbenzoic acid Openeye Name: 3-[4-hydroxy-3,5-bis(morpholinomethyl)benzoyl]benzoic acid CAS Name: 3-[[4-hydroxy-3,5-bis(4-morpholinylmethyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 3-[4-hydroxy-3,5-bis(morpholin-4-ylmethyl)benzoyl]benzoic acid Traditional Name: 3-[4-hydroxy-3,5-bis(morpholinomethyl)benzoyl]benzoic acid Formula: C24H28N2O6 MolecularWeight: 440.48892

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC(=C2O)CN3CCOCC3)C(=O)C4=CC(=CC=C4)C(=O)O

Isomeric SMILES

C1COCCN1CC2=CC(=CC(=C2O)CN3CCOCC3)C(=O)C4=CC(=CC=C4)C(=O)O

InChI

InChI=1S/C24H28N2O6/c27-22(17-2-1-3-18(12-17)24(29)30)19-13-20(15-25-4-8-31-9-5-25)23(28)21(14-19)16-26-6-10-32-11-7-26/h1-3,12-14,28H,4-11,15-16H2,(H,29,30)