5-[4-(3,3-dimethylbutoxycarbonyl)phenyl]pent-4-ynoic acid

Systemtic Name: 5-[4-(3,3-dimethylbutoxycarbonyl)phenyl]pent-4-ynoic acid Openeye Name: 5-[4-(3,3-dimethylbutoxycarbonyl)phenyl]pent-4-ynoic acid CAS Name: 5-[4-[3,3-dimethylbutoxy(oxo)methyl]phenyl]-4-pentynoic acid IUPAC Name: 5-[4-(3,3-dimethylbutoxycarbonyl)phenyl]pent-4-ynoic acid Traditional Name: 5-[4-(3,3-dimethylbutoxycarbonyl)phenyl]pent-4-ynoic acid Formula: C18H22O4 MolecularWeight: 302.36488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCOC(=O)C1=CC=C(C=C1)C#CCCC(=O)O

Isomeric SMILES

CC(C)(C)CCOC(=O)C1=CC=C(C=C1)C#CCCC(=O)O

InChI

InChI=1S/C18H22O4/c1-18(2,3)12-13-22-17(21)15-10-8-14(9-11-15)6-4-5-7-16(19)20/h8-11H,5,7,12-13H2,1-3H3,(H,19,20)