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

Systemtic Name: 4-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-ethoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-[[3-ethoxy-4-(3-phenylpropoxy)benzyl]amino]-4-keto-butyric acid Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)CNC(=O)CCC(=O)O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5/c1-2-27-20-15-18(16-23-21(24)12-13-22(25)26)10-11-19(20)28-14-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,15H,2,6,9,12-14,16H2,1H3,(H,23,24)(H,25,26)