4-[3,3-diethyl-1-[(4-iodophenyl)methylcarbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoic acid

Systemtic Name: 4-[3,3-diethyl-1-[(4-iodophenyl)methylcarbamoyl]-4-oxidanylidene-azetidin-2-yl]oxybenzoic acid Openeye Name: 4-[3,3-diethyl-1-[(4-iodophenyl)methylcarbamoyl]-4-oxo-azetidin-2-yl]oxybenzoic acid CAS Name: 4-[[3,3-diethyl-1-[[(4-iodophenyl)methylamino]-oxomethyl]-4-oxo-2-azetidinyl]oxy]benzoic acid IUPAC Name: 4-[3,3-diethyl-1-[(4-iodophenyl)methylcarbamoyl]-4-oxoazetidin-2-yl]oxybenzoic acid Traditional Name: 4-[3,3-diethyl-1-[(4-iodobenzyl)carbamoyl]-4-keto-azetidin-2-yl]oxybenzoic acid Formula: C22H23IN2O5 MolecularWeight: 522.33289

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(N(C1=O)C(=O)NCC2=CC=C(C=C2)I)OC3=CC=C(C=C3)C(=O)O)CC

Isomeric SMILES

CCC1(C(N(C1=O)C(=O)NCC2=CC=C(C=C2)I)OC3=CC=C(C=C3)C(=O)O)CC

InChI

InChI=1S/C22H23IN2O5/c1-3-22(4-2)19(28)25(21(29)24-13-14-5-9-16(23)10-6-14)20(22)30-17-11-7-15(8-12-17)18(26)27/h5-12,20H,3-4,13H2,1-2H3,(H,24,29)(H,26,27)