4-[(2-hexoxyphenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-hexoxyphenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-hexoxyphenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(2-hexoxyphenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(2-hexoxyphenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(2-hexoxybenzyl)amino]-4-keto-butyric acid Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1CNC(=O)CCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC=C1CNC(=O)CCC(=O)O

InChI

InChI=1S/C17H25NO4/c1-2-3-4-7-12-22-15-9-6-5-8-14(15)13-18-16(19)10-11-17(20)21/h5-6,8-9H,2-4,7,10-13H2,1H3,(H,18,19)(H,20,21)