5-[3-methylbut-2-enoyl-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[3-methylbut-2-enoyl-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[3-methylbut-2-enoyl-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[(3-methyl-1-oxobut-2-enyl)-[[4-[oxo-[(4-phenoxyphenyl)methylamino]methyl]phenyl]methyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[3-methylbut-2-enoyl-[[4-[(4-phenoxyphenyl)methylcarbamoyl]phenyl]methyl]amino]benzoic acid Traditional Name: 2-hydroxy-5-[3-methylbut-2-enoyl-[4-[(4-phenoxybenzyl)carbamoyl]benzyl]amino]benzoic acid Formula: C33H30N2O6 MolecularWeight: 550.6011

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N(CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC(=C(C=C4)O)C(=O)O)C

Isomeric SMILES

CC(=CC(=O)N(CC1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC(=C(C=C4)O)C(=O)O)C

InChI

InChI=1S/C33H30N2O6/c1-22(2)18-31(37)35(26-14-17-30(36)29(19-26)33(39)40)21-24-8-12-25(13-9-24)32(38)34-20-23-10-15-28(16-11-23)41-27-6-4-3-5-7-27/h3-19,36H,20-21H2,1-2H3,(H,34,38)(H,39,40)