3-[(2-oxidanylideneazepan-1-yl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[(2-oxidanylideneazepan-1-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(2-oxoazepan-1-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 3-[(2-oxo-1-azepanyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(2-oxoazepan-1-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(2-ketoazepan-1-yl)methyl]coumarilic acid Formula: C16H17NO4 MolecularWeight: 287.31048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CCC(=O)N(CC1)CC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H17NO4/c18-14-8-2-1-5-9-17(14)10-12-11-6-3-4-7-13(11)21-15(12)16(19)20/h3-4,6-7H,1-2,5,8-10H2,(H,19,20)