ethyl 4-[[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoate Traditional Name: 4-[[4-hydroxy-3,5-bis(pyrrolidinomethyl)benzoyl]amino]benzoic acid ethyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)CN3CCCC3)O)CN4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)CN3CCCC3)O)CN4CCCC4

InChI

InChI=1S/C26H33N3O4/c1-2-33-26(32)19-7-9-23(10-8-19)27-25(31)20-15-21(17-28-11-3-4-12-28)24(30)22(16-20)18-29-13-5-6-14-29/h7-10,15-16,30H,2-6,11-14,17-18H2,1H3,(H,27,31)