(2-methoxy-5-methyl-phenyl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R)-3-methylpiperidino]-3-nitro-benzoic acid (2-methoxy-5-methyl-benzyl) ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=C(C=CC(=C3)C)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O5/c1-15-6-9-21(28-3)18(11-15)14-29-22(25)17-7-8-19(20(12-17)24(26)27)23-10-4-5-16(2)13-23/h6-9,11-12,16H,4-5,10,13-14H2,1-3H3/t16-/m1/s1