[5-(hydroxymethyl)-4-methanoyl-2-methyl-pyridin-3-yl] 4-prop-1-ynylbenzoate

Systemtic Name: [5-(hydroxymethyl)-4-methanoyl-2-methyl-pyridin-3-yl] 4-prop-1-ynylbenzoate Openeye Name: [4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridyl] 4-prop-1-ynylbenzoate CAS Name: 4-prop-1-ynylbenzoic acid [4-formyl-5-(hydroxymethyl)-2-methyl-3-pyridinyl] ester IUPAC Name: [4-formyl-5-(hydroxymethyl)-2-methylpyridin-3-yl] 4-prop-1-ynylbenzoate Traditional Name: 4-prop-1-ynylbenzoic acid (4-formyl-2-methyl-5-methylol-3-pyridyl) ester Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CC=C(C=C1)C(=O)OC2=C(C(=CN=C2C)CO)C=O

Isomeric SMILES

CC#CC1=CC=C(C=C1)C(=O)OC2=C(C(=CN=C2C)CO)C=O

InChI

InChI=1S/C18H15NO4/c1-3-4-13-5-7-14(8-6-13)18(22)23-17-12(2)19-9-15(10-20)16(17)11-21/h5-9,11,20H,10H2,1-2H3