methyl 3-[4-(2-azanylethyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylate

Systemtic Name: methyl 3-[4-(2-azanylethyl)phenyl]carbonyl-2-butyl-1-benzofuran-5-carboxylate Openeye Name: methyl 3-[4-(2-aminoethyl)benzoyl]-2-butyl-benzofuran-5-carboxylate CAS Name: 3-[[4-(2-aminoethyl)phenyl]-oxomethyl]-2-butyl-5-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-aminoethyl)benzoyl]-2-butyl-1-benzofuran-5-carboxylate Traditional Name: 3-[4-(2-aminoethyl)benzoyl]-2-butyl-benzofuran-5-carboxylic acid methyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CCN

Isomeric SMILES

CCCCC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C(=O)C3=CC=C(C=C3)CCN

InChI

InChI=1S/C23H25NO4/c1-3-4-5-20-21(22(25)16-8-6-15(7-9-16)12-13-24)18-14-17(23(26)27-2)10-11-19(18)28-20/h6-11,14H,3-5,12-13,24H2,1-2H3