ethyl 2-[[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 2-[[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoate CAS Name: 2-[[[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)benzoyl]amino]benzoate Traditional Name: 2-[[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=CC=C1NC(=O)C2=CC(=C(C(=C2)CN3CCCC3)O)CN4CCCC4

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C(=C2)CN3CCCC3)O)CN4CCCC4

InChI

InChI=1S/C26H33N3O4/c1-2-33-26(32)22-9-3-4-10-23(22)27-25(31)19-15-20(17-28-11-5-6-12-28)24(30)21(16-19)18-29-13-7-8-14-29/h3-4,9-10,15-16,30H,2,5-8,11-14,17-18H2,1H3,(H,27,31)