ethyl 4-[2-[4-(hydroxymethyl)-3-propan-2-yl-phenyl]ethynyl]benzoate

Systemtic Name: ethyl 4-[2-[4-(hydroxymethyl)-3-propan-2-yl-phenyl]ethynyl]benzoate Openeye Name: ethyl 4-[2-[4-(hydroxymethyl)-3-isopropyl-phenyl]ethynyl]benzoate CAS Name: 4-[2-[4-(hydroxymethyl)-3-propan-2-ylphenyl]ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(hydroxymethyl)-3-propan-2-ylphenyl]ethynyl]benzoate Traditional Name: 4-[2-(3-isopropyl-4-methylol-phenyl)ethynyl]benzoic acid ethyl ester Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)CO)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)CO)C(C)C

InChI

InChI=1S/C21H22O3/c1-4-24-21(23)18-10-7-16(8-11-18)5-6-17-9-12-19(14-22)20(13-17)15(2)3/h7-13,15,22H,4,14H2,1-3H3