(3-methylphenyl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (3-methylphenyl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: m-tolylmethyl 4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R)-3-methylpiperidino]-3-nitro-benzoic acid (3-methylbenzyl) ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-15-5-3-7-17(11-15)14-27-21(24)18-8-9-19(20(12-18)23(25)26)22-10-4-6-16(2)13-22/h3,5,7-9,11-12,16H,4,6,10,13-14H2,1-2H3/t16-/m1/s1