2-(4-methylphenoxy)ethyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: 2-(4-methylphenoxy)ethyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: 2-(4-methylphenoxy)ethyl 4-[(3R)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid 2-(4-methylphenoxy)ethyl ester IUPAC Name: 2-(4-methylphenoxy)ethyl 4-[(3R)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R)-3-methylpiperidino]-3-nitro-benzoic acid 2-(4-methylphenoxy)ethyl 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)OCCOC3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H26N2O5/c1-16-5-8-19(9-6-16)28-12-13-29-22(25)18-7-10-20(21(14-18)24(26)27)23-11-3-4-17(2)15-23/h5-10,14,17H,3-4,11-13,15H2,1-2H3/t17-/m1/s1