4-azanyl-2-(4-octoxyphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-(4-octoxyphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-(4-octoxyphenyl)-4-oxo-butanoic acid CAS Name: 4-amino-2-(4-octoxyphenyl)-4-oxobutanoic acid IUPAC Name: 4-amino-2-(4-octoxyphenyl)-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-(4-octoxyphenyl)butyric acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(CC(=O)N)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(CC(=O)N)C(=O)O

InChI

InChI=1S/C18H27NO4/c1-2-3-4-5-6-7-12-23-15-10-8-14(9-11-15)16(18(21)22)13-17(19)20/h8-11,16H,2-7,12-13H2,1H3,(H2,19,20)(H,21,22)