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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCC(=O)O)OCCCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCC(=O)O)OCCCC2=CC=CC=C2

InChI

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