ethyl 4-azanyl-3-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methoxyphenyl)carbonyl-butanoate

Systemtic Name: ethyl 4-azanyl-3-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methoxyphenyl)carbonyl-butanoate Openeye Name: ethyl 4-amino-3-(2,3-dihydrobenzofuran-5-yl)-2-(4-methoxybenzoyl)butanoate CAS Name: 4-amino-3-(2,3-dihydrobenzofuran-5-yl)-2-[(4-methoxyphenyl)-oxomethyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methoxybenzoyl)butanoate Traditional Name: 4-amino-3-coumaran-5-yl-2-p-anisoyl-butyric acid ethyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CN)C1=CC2=C(C=C1)OCC2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C(C(CN)C1=CC2=C(C=C1)OCC2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H25NO5/c1-3-27-22(25)20(21(24)14-4-7-17(26-2)8-5-14)18(13-23)15-6-9-19-16(12-15)10-11-28-19/h4-9,12,18,20H,3,10-11,13,23H2,1-2H3