methyl (2S)-2-[(2R,3R,4S)-4-methyl-3-nitro-4-oxidanyl-2-phenyl-piperidin-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(2R,3R,4S)-4-methyl-3-nitro-4-oxidanyl-2-phenyl-piperidin-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(2R,3R,4S)-4-hydroxy-4-methyl-3-nitro-2-phenyl-1-piperidyl]-3-phenyl-propanoate CAS Name: (2S)-2-[(2R,3R,4S)-4-hydroxy-4-methyl-3-nitro-2-phenyl-1-piperidinyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2R,3R,4S)-4-hydroxy-4-methyl-3-nitro-2-phenylpiperidin-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(2R,3R,4S)-4-hydroxy-4-methyl-3-nitro-2-phenyl-piperidino]-3-phenyl-propionic acid methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCN(C(C1[N+](=O)[O-])C2=CC=CC=C2)C(CC3=CC=CC=C3)C(=O)OC)O

Isomeric SMILES

C[C@@]1(CCN([C@@H]([C@H]1[N+](=O)[O-])C2=CC=CC=C2)[C@@H](CC3=CC=CC=C3)C(=O)OC)O

InChI

InChI=1S/C22H26N2O5/c1-22(26)13-14-23(18(21(25)29-2)15-16-9-5-3-6-10-16)19(20(22)24(27)28)17-11-7-4-8-12-17/h3-12,18-20,26H,13-15H2,1-2H3/t18-,19+,20+,22-/m0/s1