3-(4-methylphenyl)-2-phenyl-2-propan-2-yloxy-pent-4-ynoic acid

Systemtic Name: 3-(4-methylphenyl)-2-phenyl-2-propan-2-yloxy-pent-4-ynoic acid Openeye Name: 2-isopropoxy-2-phenyl-3-(p-tolyl)pent-4-ynoic acid CAS Name: 3-(4-methylphenyl)-2-phenyl-2-propan-2-yloxy-4-pentynoic acid IUPAC Name: 3-(4-methylphenyl)-2-phenyl-2-propan-2-yloxypent-4-ynoic acid Traditional Name: 2-isopropoxy-2-phenyl-3-(p-tolyl)pent-4-ynoic acid Formula: C21H22O3 MolecularWeight: 322.39758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#C)C(C2=CC=CC=C2)(C(=O)O)OC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(C#C)C(C2=CC=CC=C2)(C(=O)O)OC(C)C

InChI

InChI=1S/C21H22O3/c1-5-19(17-13-11-16(4)12-14-17)21(20(22)23,24-15(2)3)18-9-7-6-8-10-18/h1,6-15,19H,2-4H3,(H,22,23)