4-[1-azanyl-4-oxidanyl-1-oxidanylidene-2-(2-piperidin-1-ylphenyl)butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-4-oxidanyl-1-oxidanylidene-2-(2-piperidin-1-ylphenyl)butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-3-hydroxy-1-[2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-4-hydroxy-1-oxo-2-[2-(1-piperidinyl)phenyl]butan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-4-hydroxy-1-oxo-2-(2-piperidin-1-ylphenyl)butan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-3-hydroxy-1-(2-piperidinophenyl)propyl]benzoic acid Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=CC=C2C(CCO)(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=CC=CC=C2C(CCO)(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H26N2O4/c23-21(28)22(12-15-25,17-10-8-16(9-11-17)20(26)27)18-6-2-3-7-19(18)24-13-4-1-5-14-24/h2-3,6-11,25H,1,4-5,12-15H2,(H2,23,28)(H,26,27)