4-(4-but-2-ynoxyphenyl)butanoic acid; 4-(4-but-2-ynoxyphenyl)-N-oxidanyl-butanamide

Systemtic Name: 4-(4-but-2-ynoxyphenyl)butanoic acid; 4-(4-but-2-ynoxyphenyl)-N-oxidanyl-butanamide Openeye Name: 4-(4-but-2-ynoxyphenyl)butanehydroxamic acid; 4-(4-but-2-ynoxyphenyl)butanoic acid CAS Name: 4-(4-but-2-ynoxyphenyl)butanoic acid; 4-(4-but-2-ynoxyphenyl)-N-hydroxybutanamide IUPAC Name: 4-(4-but-2-ynoxyphenyl)butanoic acid; 4-(4-but-2-ynoxyphenyl)-N-hydroxybutanamide Traditional Name: 4-(4-but-2-ynoxyphenyl)butanehydroxamic acid; 4-(4-but-2-ynoxyphenyl)butyric acid Formula: C28H33NO6 MolecularWeight: 479.56472

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)CCCC(=O)NO.CC#CCOC1=CC=C(C=C1)CCCC(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)CCCC(=O)NO.CC#CCOC1=CC=C(C=C1)CCCC(=O)O

InChI

InChI=1S/C14H17NO3.C14H16O3/c1-2-3-11-18-13-9-7-12(8-10-13)5-4-6-14(16)15-17;1-2-3-11-17-13-9-7-12(8-10-13)5-4-6-14(15)16/h7-10,17H,4-6,11H2,1H3,(H,15,16);7-10H,4-6,11H2,1H3,(H,15,16)