(2S)-2-[[4-[(4-oxidanyl-4-phenyl-piperidin-1-yl)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-[(4-oxidanyl-4-phenyl-piperidin-1-yl)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-[(4-hydroxy-4-phenyl-1-piperidyl)methyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-[(4-hydroxy-4-phenyl-1-piperidinyl)methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-[(4-hydroxy-4-phenyl-piperidino)methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)O)CC3=CC=C(C=C3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)O)CC3=CC=C(C=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H30N2O4/c31-26(29-25(27(32)33)19-21-7-3-1-4-8-21)23-13-11-22(12-14-23)20-30-17-15-28(34,16-18-30)24-9-5-2-6-10-24/h1-14,25,34H,15-20H2,(H,29,31)(H,32,33)/t25-/m0/s1