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

Systemtic Name: 2-methyl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoic acid Openeye Name: 2-methyl-3-[(1-prop-2-ynyl-4-piperidyl)amino]benzoic acid CAS Name: 2-methyl-3-[(1-prop-2-ynyl-4-piperidinyl)amino]benzoic acid IUPAC Name: 2-methyl-3-[(1-prop-2-ynylpiperidin-4-yl)amino]benzoic acid Traditional Name: 2-methyl-3-[(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=C1NC2CCN(CC2)CC#C)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC2CCN(CC2)CC#C)C(=O)O

InChI

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