4-[2-[4-ethoxycarbonyl-5-(iminomethyloxy)-3,4-dihydro-2H-pyrrol-3-yl]ethyl]benzoic acid

Systemtic Name: 4-[2-[4-ethoxycarbonyl-5-(iminomethyloxy)-3,4-dihydro-2H-pyrrol-3-yl]ethyl]benzoic acid Openeye Name: 4-[2-(4-ethoxycarbonyl-5-methanimidoyloxy-3,4-dihydro-2H-pyrrol-3-yl)ethyl]benzoic acid CAS Name: 4-[2-(4-ethoxycarbonyl-5-methanimidoyloxy-3,4-dihydro-2H-pyrrol-3-yl)ethyl]benzoic acid IUPAC Name: 4-[2-(4-ethoxycarbonyl-5-methanimidoyloxy-3,4-dihydro-2H-pyrrol-3-yl)ethyl]benzoic acid Traditional Name: 4-[2-(4-carbethoxy-5-formimidoyloxy-1-pyrrolin-3-yl)ethyl]benzoic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-2-23-17(22)14-13(9-19-15(14)24-10-18)8-5-11-3-6-12(7-4-11)16(20)21/h3-4,6-7,10,13-14,18H,2,5,8-9H2,1H3,(H,20,21)