methyl 4-[[2-(3-methylpiperidin-1-yl)propanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(3-methylpiperidin-1-yl)propanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-(3-methyl-1-piperidyl)propanoylamino]methyl]benzoate CAS Name: 4-[[[2-(3-methyl-1-piperidinyl)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-methylpiperidin-1-yl)propanoylamino]methyl]benzoate Traditional Name: 4-[[2-(3-methylpiperidino)propanoylamino]methyl]benzoic acid methyl ester Formula: C18H26N2O3 MolecularWeight: 318.41064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1CCCN(C1)C(C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H26N2O3/c1-13-5-4-10-20(12-13)14(2)17(21)19-11-15-6-8-16(9-7-15)18(22)23-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,19,21)