3-[(3-bromophenyl)carbamoyl]-5-(3,4-diethyl-5-phosphono-furan-2-yl)benzoic acid

Systemtic Name: 3-[(3-bromophenyl)carbamoyl]-5-(3,4-diethyl-5-phosphono-furan-2-yl)benzoic acid Openeye Name: 3-[(3-bromophenyl)carbamoyl]-5-(3,4-diethyl-5-phosphono-2-furyl)benzoic acid CAS Name: 3-[(3-bromoanilino)-oxomethyl]-5-(3,4-diethyl-5-phosphono-2-furanyl)benzoic acid IUPAC Name: 3-[(3-bromophenyl)carbamoyl]-5-(3,4-diethyl-5-phosphonofuran-2-yl)benzoic acid Traditional Name: 3-[(3-bromophenyl)carbamoyl]-5-(3,4-diethyl-5-phosphono-2-furyl)benzoic acid Formula: C22H21BrNO7P MolecularWeight: 522.282401

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C1CC)P(=O)(O)O)C2=CC(=CC(=C2)C(=O)O)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCC1=C(OC(=C1CC)P(=O)(O)O)C2=CC(=CC(=C2)C(=O)O)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H21BrNO7P/c1-3-17-18(4-2)22(32(28,29)30)31-19(17)12-8-13(10-14(9-12)21(26)27)20(25)24-16-7-5-6-15(23)11-16/h5-11H,3-4H2,1-2H3,(H,24,25)(H,26,27)(H2,28,29,30)