4-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-ethoxy-4-(2-phenoxyethoxy)benzyl]amino]-4-keto-butyric acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)O)OCCOC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C21H25NO6/c1-2-26-19-14-16(15-22-20(23)10-11-21(24)25)8-9-18(19)28-13-12-27-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,22,23)(H,24,25)