4-azanyl-3-(5-butan-2-yl-1-benzofuran-2-yl)butanoic acid

Systemtic Name: 4-azanyl-3-(5-butan-2-yl-1-benzofuran-2-yl)butanoic acid Openeye Name: 4-amino-3-(5-sec-butylbenzofuran-2-yl)butanoic acid CAS Name: 4-amino-3-(5-butan-2-yl-2-benzofuranyl)butanoic acid IUPAC Name: 4-amino-3-(5-butan-2-yl-1-benzofuran-2-yl)butanoic acid Traditional Name: 4-amino-3-(5-sec-butylbenzofuran-2-yl)butyric acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=C2)C(CC(=O)O)CN

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=C2)C(CC(=O)O)CN

InChI

InChI=1S/C16H21NO3/c1-3-10(2)11-4-5-14-12(6-11)7-15(20-14)13(9-17)8-16(18)19/h4-7,10,13H,3,8-9,17H2,1-2H3,(H,18,19)