3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-3-oxo-propanoic acid CAS Name: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-3-oxopropanoic acid IUPAC Name: 3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]-3-oxopropanoic acid Traditional Name: 3-keto-3-[3-[1-(2-methylcyclopropyl)butylamino]phenyl]propionic acid Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)CC(=O)O

Isomeric SMILES

CCCC(C1CC1C)NC2=CC=CC(=C2)C(=O)CC(=O)O

InChI

InChI=1S/C17H23NO3/c1-3-5-15(14-8-11(14)2)18-13-7-4-6-12(9-13)16(19)10-17(20)21/h4,6-7,9,11,14-15,18H,3,5,8,10H2,1-2H3,(H,20,21)