methyl 3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate

Systemtic Name: methyl 3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate Openeye Name: methyl 3-[(1-prop-2-ynyl-4-piperidyl)amino]benzoate CAS Name: 3-[(1-prop-2-ynyl-4-piperidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate Traditional Name: 3-[(1-propargyl-4-piperidyl)amino]benzoic acid methyl ester Formula: C16H20N2O2 MolecularWeight: 272.3422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC2CCN(CC2)CC#C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC2CCN(CC2)CC#C

InChI

InChI=1S/C16H20N2O2/c1-3-9-18-10-7-14(8-11-18)17-15-6-4-5-13(12-15)16(19)20-2/h1,4-6,12,14,17H,7-11H2,2H3