4-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]-4-oxo-butanoic acid CAS Name: 4-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]-4-oxobutanoic acid IUPAC Name: 4-[[3-methoxy-2-(3-phenylpropoxy)phenyl]methylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[3-methoxy-2-(3-phenylpropoxy)benzyl]amino]butyric acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCCCC2=CC=CC=C2)CNC(=O)CCC(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OCCCC2=CC=CC=C2)CNC(=O)CCC(=O)O

InChI

InChI=1S/C21H25NO5/c1-26-18-11-5-10-17(15-22-19(23)12-13-20(24)25)21(18)27-14-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11H,6,9,12-15H2,1H3,(H,22,23)(H,24,25)