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

Systemtic Name: 5-(4-dimethylaminophenyl)-3-methyl-2-propan-2-yl-pent-4-ynoic acid Openeye Name: 5-(4-dimethylaminophenyl)-2-isopropyl-3-methyl-pent-4-ynoic acid CAS Name: 5-(4-dimethylaminophenyl)-3-methyl-2-propan-2-yl-4-pentynoic acid IUPAC Name: 5-(4-dimethylaminophenyl)-3-methyl-2-propan-2-ylpent-4-ynoic acid Traditional Name: 5-(4-dimethylaminophenyl)-2-isopropyl-3-methyl-pent-4-ynoic acid Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2/c1-12(2)16(17(19)20)13(3)6-7-14-8-10-15(11-9-14)18(4)5/h8-13,16H,1-5H3,(H,19,20)