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

Systemtic Name: 4-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-oxo-butanoate CAS Name: 4-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-oxobutanoate IUPAC Name: 4-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[3-methoxy-4-(3-phenylpropoxy)benzyl]amino]butyrate Formula: C21H24NO5- MolecularWeight: 370.41896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5/c1-26-19-14-17(15-22-20(23)11-12-21(24)25)9-10-18(19)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)/p-1