4-[1-(4-chloranyl-7-ethyl-1-benzofuran-2-yl)pyrrolidin-2-yl]carbonylbenzoic acid

Systemtic Name: 4-[1-(4-chloranyl-7-ethyl-1-benzofuran-2-yl)pyrrolidin-2-yl]carbonylbenzoic acid Openeye Name: 4-[1-(4-chloro-7-ethyl-benzofuran-2-yl)pyrrolidine-2-carbonyl]benzoic acid CAS Name: 4-[[1-(4-chloro-7-ethyl-2-benzofuranyl)-2-pyrrolidinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[1-(4-chloro-7-ethyl-1-benzofuran-2-yl)pyrrolidine-2-carbonyl]benzoic acid Traditional Name: 4-[1-(4-chloro-7-ethyl-benzofuran-2-yl)prolyl]benzoic acid Formula: C22H20ClNO4 MolecularWeight: 397.8515

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C=C1)Cl)C=C(O2)N3CCCC3C(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CCC1=C2C(=C(C=C1)Cl)C=C(O2)N3CCCC3C(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H20ClNO4/c1-2-13-9-10-17(23)16-12-19(28-21(13)16)24-11-3-4-18(24)20(25)14-5-7-15(8-6-14)22(26)27/h5-10,12,18H,2-4,11H2,1H3,(H,26,27)