4-[(3-hexoxyphenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-hexoxyphenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-hexoxyphenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-hexoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-hexoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(3-hexoxybenzyl)amino]-4-keto-butyric acid Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)CNC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)CNC(=O)CCC(=O)O

InChI

InChI=1S/C17H25NO4/c1-2-3-4-5-11-22-15-8-6-7-14(12-15)13-18-16(19)9-10-17(20)21/h6-8,12H,2-5,9-11,13H2,1H3,(H,18,19)(H,20,21)