4-[1-azanyl-4-oxidanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-4-oxidanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-3-hydroxy-2-[2-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-4-hydroxy-1-oxo-3-[2-(1-piperidinyl)phenyl]butan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-4-hydroxy-1-oxo-3-(2-piperidin-1-ylphenyl)butan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-3-hydroxy-2-(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(CO)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

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

InChI

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