7-[ethoxycarbonyl(phenyl)amino]-4,5,6,7-tetrahydro-1-benzofuran-6-carboxylic acid

Systemtic Name: 7-[ethoxycarbonyl(phenyl)amino]-4,5,6,7-tetrahydro-1-benzofuran-6-carboxylic acid Openeye Name: 7-(N-ethoxycarbonylanilino)-4,5,6,7-tetrahydrobenzofuran-6-carboxylic acid CAS Name: 7-(N-ethoxycarbonylanilino)-4,5,6,7-tetrahydrobenzofuran-6-carboxylic acid IUPAC Name: 7-(N-ethoxycarbonylanilino)-4,5,6,7-tetrahydro-1-benzofuran-6-carboxylic acid Traditional Name: 7-(N-carbethoxyanilino)-4,5,6,7-tetrahydrobenzofuran-6-carboxylic acid Formula: C18H19NO5 MolecularWeight: 329.34716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1C(CCC2=C1OC=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N(C1C(CCC2=C1OC=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO5/c1-2-23-18(22)19(13-6-4-3-5-7-13)15-14(17(20)21)9-8-12-10-11-24-16(12)15/h3-7,10-11,14-15H,2,8-9H2,1H3,(H,20,21)