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

Systemtic Name: ethyl 3-[4-[[4-oxidanyl-3,5-bis(pyrrolidin-1-ylmethyl)phenyl]carbonylamino]phenyl]propanoate Openeye Name: ethyl 3-[4-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)benzoyl]amino]phenyl]propanoate CAS Name: 3-[4-[[[4-hydroxy-3,5-bis(1-pyrrolidinylmethyl)phenyl]-oxomethyl]amino]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[[4-hydroxy-3,5-bis(pyrrolidin-1-ylmethyl)benzoyl]amino]phenyl]propanoate Traditional Name: 3-[4-[[4-hydroxy-3,5-bis(pyrrolidinomethyl)benzoyl]amino]phenyl]propionic acid ethyl ester Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)CN3CCCC3)O)CN4CCCC4

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)CN3CCCC3)O)CN4CCCC4

InChI

InChI=1S/C28H37N3O4/c1-2-35-26(32)12-9-21-7-10-25(11-8-21)29-28(34)22-17-23(19-30-13-3-4-14-30)27(33)24(18-22)20-31-15-5-6-16-31/h7-8,10-11,17-18,33H,2-6,9,12-16,19-20H2,1H3,(H,29,34)