ethyl 4-[[1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-phenyl-propyl]amino]benzoate

Systemtic Name: ethyl 4-[[1-(1,3-benzodioxol-5-yl)-3-oxidanylidene-3-phenyl-propyl]amino]benzoate Openeye Name: ethyl 4-[[1-(1,3-benzodioxol-5-yl)-3-oxo-3-phenyl-propyl]amino]benzoate CAS Name: 4-[[1-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylpropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(1,3-benzodioxol-5-yl)-3-oxo-3-phenylpropyl]amino]benzoate Traditional Name: 4-[[1-(1,3-benzodioxol-5-yl)-3-keto-3-phenyl-propyl]amino]benzoic acid ethyl ester Formula: C25H23NO5 MolecularWeight: 417.45382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(CC(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(CC(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H23NO5/c1-2-29-25(28)18-8-11-20(12-9-18)26-21(15-22(27)17-6-4-3-5-7-17)19-10-13-23-24(14-19)31-16-30-23/h3-14,21,26H,2,15-16H2,1H3