5-(4-cyanophenyl)-3-methyl-2-propan-2-yl-pent-4-ynoic acid

Systemtic Name: 5-(4-cyanophenyl)-3-methyl-2-propan-2-yl-pent-4-ynoic acid Openeye Name: 5-(4-cyanophenyl)-2-isopropyl-3-methyl-pent-4-ynoic acid CAS Name: 5-(4-cyanophenyl)-3-methyl-2-propan-2-yl-4-pentynoic acid IUPAC Name: 5-(4-cyanophenyl)-3-methyl-2-propan-2-ylpent-4-ynoic acid Traditional Name: 5-(4-cyanophenyl)-2-isopropyl-3-methyl-pent-4-ynoic acid Formula: C16H17NO2 MolecularWeight: 255.31168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C#CC1=CC=C(C=C1)C#N)C(=O)O

Isomeric SMILES

CC(C)C(C(C)C#CC1=CC=C(C=C1)C#N)C(=O)O

InChI

InChI=1S/C16H17NO2/c1-11(2)15(16(18)19)12(3)4-5-13-6-8-14(10-17)9-7-13/h6-9,11-12,15H,1-3H3,(H,18,19)