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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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