4-[2-oxidanylidene-2-[[(5-oxidanyl-2-piperidin-1-yl-phenyl)-phenyl-methyl]amino]ethyl]benzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-[[(5-oxidanyl-2-piperidin-1-yl-phenyl)-phenyl-methyl]amino]ethyl]benzoic acid Openeye Name: 4-[2-[[[5-hydroxy-2-(1-piperidyl)phenyl]-phenyl-methyl]amino]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-[[[5-hydroxy-2-(1-piperidinyl)phenyl]-phenylmethyl]amino]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-[[(5-hydroxy-2-piperidin-1-ylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzoic acid Traditional Name: 4-[2-[[(5-hydroxy-2-piperidino-phenyl)-phenyl-methyl]amino]-2-keto-ethyl]benzoic acid Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)O)C(C3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)O)C(C3=CC=CC=C3)NC(=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H28N2O4/c30-22-13-14-24(29-15-5-2-6-16-29)23(18-22)26(20-7-3-1-4-8-20)28-25(31)17-19-9-11-21(12-10-19)27(32)33/h1,3-4,7-14,18,26,30H,2,5-6,15-17H2,(H,28,31)(H,32,33)