methyl 3-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[[4-[(4-methyl-1-piperidinyl)methyl]phenyl]methylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[(4-methylpiperidino)methyl]benzyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C23H27N3O5/c1-16-7-9-25(10-8-16)15-18-5-3-17(4-6-18)14-24-22(27)19-11-20(23(28)31-2)13-21(12-19)26(29)30/h3-6,11-13,16H,7-10,14-15H2,1-2H3,(H,24,27)