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

Systemtic Name: methyl 4-methyl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate Openeye Name: methyl 4-methyl-3-[(1-prop-2-ynyl-4-piperidyl)amino]benzoate CAS Name: 4-methyl-3-[(1-prop-2-ynyl-4-piperidinyl)amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoate Traditional Name: 4-methyl-3-[(1-propargyl-4-piperidyl)amino]benzoic acid methyl ester Formula: C17H22N2O2 MolecularWeight: 286.36878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC2CCN(CC2)CC#C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC2CCN(CC2)CC#C

InChI

InChI=1S/C17H22N2O2/c1-4-9-19-10-7-15(8-11-19)18-16-12-14(17(20)21-3)6-5-13(16)2/h1,5-6,12,15,18H,7-11H2,2-3H3