(2,3-dimethoxyphenyl)methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: (2,3-dimethoxyphenyl)methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: (2,3-dimethoxyphenyl)methyl 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid (2,3-dimethoxyphenyl)methyl ester IUPAC Name: (2,3-dimethoxyphenyl)methyl 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid o-veratryl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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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)OC)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-15-6-5-11-23(13-15)18-10-9-16(12-19(18)24(26)27)22(25)30-14-17-7-4-8-20(28-2)21(17)29-3/h4,7-10,12,15H,5-6,11,13-14H2,1-3H3/t15-/m0/s1