3,3-bis[2-(4-azanylphenoxy)-5-methyl-phenyl]cyclopentane-1,1,2,2-tetracarboxylic acid

Systemtic Name: 3,3-bis[2-(4-azanylphenoxy)-5-methyl-phenyl]cyclopentane-1,1,2,2-tetracarboxylic acid Openeye Name: 3,3-bis[2-(4-aminophenoxy)-5-methyl-phenyl]cyclopentane-1,1,2,2-tetracarboxylic acid CAS Name: 3,3-bis[2-(4-aminophenoxy)-5-methylphenyl]cyclopentane-1,1,2,2-tetracarboxylic acid IUPAC Name: 3,3-bis[2-(4-aminophenoxy)-5-methylphenyl]cyclopentane-1,1,2,2-tetracarboxylic acid Traditional Name: 3,3-bis[2-(4-aminophenoxy)-5-methyl-phenyl]cyclopentane-1,1,2,2-tetracarboxylic acid Formula: C35H32N2O10 MolecularWeight: 640.63598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC=C(C=C2)N)C3(CCC(C3(C(=O)O)C(=O)O)(C(=O)O)C(=O)O)C4=C(C=CC(=C4)C)OC5=CC=C(C=C5)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC=C(C=C2)N)C3(CCC(C3(C(=O)O)C(=O)O)(C(=O)O)C(=O)O)C4=C(C=CC(=C4)C)OC5=CC=C(C=C5)N

InChI

InChI=1S/C35H32N2O10/c1-19-3-13-27(46-23-9-5-21(36)6-10-23)25(17-19)33(15-16-34(29(38)39,30(40)41)35(33,31(42)43)32(44)45)26-18-20(2)4-14-28(26)47-24-11-7-22(37)8-12-24/h3-14,17-18H,15-16,36-37H2,1-2H3,(H,38,39)(H,40,41)(H,42,43)(H,44,45)