3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-benzoic acid Openeye Name: 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-benzoic acid CAS Name: 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxybenzoic acid IUPAC Name: 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxybenzoic acid Traditional Name: 3-[3-(dimethylamino)prop-1-ynyl]-4-methoxy-benzoic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=C(C=CC(=C1)C(=O)O)OC

Isomeric SMILES

CN(C)CC#CC1=C(C=CC(=C1)C(=O)O)OC

InChI

InChI=1S/C13H15NO3/c1-14(2)8-4-5-10-9-11(13(15)16)6-7-12(10)17-3/h6-7,9H,8H2,1-3H3,(H,15,16)