5-[4-(3-oxidanylidenebutanoylamino)phenyl]pentanoic acid

Systemtic Name: 5-[4-(3-oxidanylidenebutanoylamino)phenyl]pentanoic acid Openeye Name: 5-[4-(3-oxobutanoylamino)phenyl]pentanoic acid CAS Name: 5-[4-(1,3-dioxobutylamino)phenyl]pentanoic acid IUPAC Name: 5-[4-(3-oxobutanoylamino)phenyl]pentanoic acid Traditional Name: 5-[4-(acetoacetylamino)phenyl]valeric acid Formula: C15H19NO4 MolecularWeight: 277.31566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NC1=CC=C(C=C1)CCCCC(=O)O

Isomeric SMILES

CC(=O)CC(=O)NC1=CC=C(C=C1)CCCCC(=O)O

InChI

InChI=1S/C15H19NO4/c1-11(17)10-14(18)16-13-8-6-12(7-9-13)4-2-3-5-15(19)20/h6-9H,2-5,10H2,1H3,(H,16,18)(H,19,20)