[4-[(2S)-2-azanyl-2-(4-oxidanyl-4-phenyl-piperidin-1-yl)ethanoyl]phenyl] benzoate

Systemtic Name: [4-[(2S)-2-azanyl-2-(4-oxidanyl-4-phenyl-piperidin-1-yl)ethanoyl]phenyl] benzoate Openeye Name: [4-[(2S)-2-amino-2-(4-hydroxy-4-phenyl-1-piperidyl)acetyl]phenyl] benzoate CAS Name: benzoic acid [4-[(2S)-2-amino-2-(4-hydroxy-4-phenyl-1-piperidinyl)-1-oxoethyl]phenyl] ester IUPAC Name: [4-[(2S)-2-amino-2-(4-hydroxy-4-phenylpiperidin-1-yl)acetyl]phenyl] benzoate Traditional Name: benzoic acid [4-[(2S)-2-amino-2-(4-hydroxy-4-phenyl-piperidino)acetyl]phenyl] ester Formula: C26H26N2O4 MolecularWeight: 430.49564

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)O)C(C(=O)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)N

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4/c27-24(28-17-15-26(31,16-18-28)21-9-5-2-6-10-21)23(29)19-11-13-22(14-12-19)32-25(30)20-7-3-1-4-8-20/h1-14,24,31H,15-18,27H2/t24-/m0/s1