1-[(5-azanyl-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-azanyl-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-amino-2,4,6,7-tetramethyl-3H-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-amino-2,4,6,7-tetramethyl-3H-benzofuran-2-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-amino-2,4,6,7-tetramethyl-3H-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-amino-2,4,6,7-tetramethyl-coumaran-2-yl)methyl]isonipecotic acid Formula: C19H28N2O3 MolecularWeight: 332.43722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1C)(C)CN3CCC(CC3)C(=O)O)C)N

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1C)(C)CN3CCC(CC3)C(=O)O)C)N

InChI

InChI=1S/C19H28N2O3/c1-11-12(2)17-15(13(3)16(11)20)9-19(4,24-17)10-21-7-5-14(6-8-21)18(22)23/h14H,5-10,20H2,1-4H3,(H,22,23)