4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxo-butanoic acid CAS Name: 4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxobutanoic acid IUPAC Name: 4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]-4-oxobutanoic acid Traditional Name: 4-keto-4-(methylamino)-2-[4-(5-methylhexoxy)phenyl]butyric acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCOC1=CC=C(C=C1)C(CC(=O)NC)C(=O)O

Isomeric SMILES

CC(C)CCCCOC1=CC=C(C=C1)C(CC(=O)NC)C(=O)O

InChI

InChI=1S/C18H27NO4/c1-13(2)6-4-5-11-23-15-9-7-14(8-10-15)16(18(21)22)12-17(20)19-3/h7-10,13,16H,4-6,11-12H2,1-3H3,(H,19,20)(H,21,22)