2-[[4-[2-[(2-carboxy-4-methyl-phenyl)amino]oxyethyl]phenyl]methylcarbamoyl]-5-methyl-benzoic acid

Systemtic Name: 2-[[4-[2-[(2-carboxy-4-methyl-phenyl)amino]oxyethyl]phenyl]methylcarbamoyl]-5-methyl-benzoic acid Openeye Name: 2-[[4-[2-(2-carboxy-4-methyl-anilino)oxyethyl]phenyl]methylcarbamoyl]-5-methyl-benzoic acid CAS Name: 2-[[[4-[2-(2-carboxy-4-methylanilino)oxyethyl]phenyl]methylamino]-oxomethyl]-5-methylbenzoic acid IUPAC Name: 2-[[4-[2-(2-carboxy-4-methylanilino)oxyethyl]phenyl]methylcarbamoyl]-5-methylbenzoic acid Traditional Name: 2-[[4-[2-(2-carboxy-4-methyl-anilino)oxyethyl]benzyl]carbamoyl]-5-methyl-benzoic acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NCC2=CC=C(C=C2)CCONC3=C(C=C(C=C3)C)C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NCC2=CC=C(C=C2)CCONC3=C(C=C(C=C3)C)C(=O)O)C(=O)O

InChI

InChI=1S/C26H26N2O6/c1-16-3-9-20(21(13-16)25(30)31)24(29)27-15-19-7-5-18(6-8-19)11-12-34-28-23-10-4-17(2)14-22(23)26(32)33/h3-10,13-14,28H,11-12,15H2,1-2H3,(H,27,29)(H,30,31)(H,32,33)