4-[[3-[(4-hexyl-3-methoxy-phenoxy)methyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[(4-hexyl-3-methoxy-phenoxy)methyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[(4-hexyl-3-methoxy-phenoxy)methyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[(4-hexyl-3-methoxyphenoxy)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-[(4-hexyl-3-methoxyphenoxy)methyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[3-[(4-hexyl-3-methoxy-phenoxy)methyl]anilino]-4-keto-butyric acid Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CCC(=O)O)OC

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)OCC2=CC(=CC=C2)NC(=O)CCC(=O)O)OC

InChI

InChI=1S/C24H31NO5/c1-3-4-5-6-9-19-11-12-21(16-22(19)29-2)30-17-18-8-7-10-20(15-18)25-23(26)13-14-24(27)28/h7-8,10-12,15-16H,3-6,9,13-14,17H2,1-2H3,(H,25,26)(H,27,28)