2-[4-(dibutylamino)-2-(3-methyl-4-phenylazanyl-phenoxy)phenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-(dibutylamino)-2-(3-methyl-4-phenylazanyl-phenoxy)phenyl]carbonylbenzoic acid Openeye Name: 2-[2-(4-anilino-3-methyl-phenoxy)-4-(dibutylamino)benzoyl]benzoic acid CAS Name: 2-[[2-(4-anilino-3-methylphenoxy)-4-(dibutylamino)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[2-(4-anilino-3-methylphenoxy)-4-(dibutylamino)benzoyl]benzoic acid Traditional Name: 2-[2-(4-anilino-3-methyl-phenoxy)-4-(dibutylamino)benzoyl]benzoic acid Formula: C35H38N2O4 MolecularWeight: 550.68722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)OC3=CC(=C(C=C3)NC4=CC=CC=C4)C

Isomeric SMILES

CCCCN(CCCC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)OC3=CC(=C(C=C3)NC4=CC=CC=C4)C

InChI

InChI=1S/C35H38N2O4/c1-4-6-21-37(22-7-5-2)27-17-19-31(34(38)29-15-11-12-16-30(29)35(39)40)33(24-27)41-28-18-20-32(25(3)23-28)36-26-13-9-8-10-14-26/h8-20,23-24,36H,4-7,21-22H2,1-3H3,(H,39,40)