2-[6-(diethylamino)-2-(diphenylamino)-3-methoxy-9H-xanthen-9-yl]benzoic acid

Systemtic Name: 2-[6-(diethylamino)-2-(diphenylamino)-3-methoxy-9H-xanthen-9-yl]benzoic acid Openeye Name: 2-[6-(diethylamino)-3-methoxy-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoic acid CAS Name: 2-[6-(diethylamino)-3-methoxy-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoic acid IUPAC Name: 2-[6-(diethylamino)-3-methoxy-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoic acid Traditional Name: 2-[6-(diethylamino)-3-methoxy-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoic acid Formula: C37H34N2O4 MolecularWeight: 570.67686

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)OC)N(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)OC)N(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O

InChI

InChI=1S/C37H34N2O4/c1-4-38(5-2)27-20-21-30-33(22-27)43-34-24-35(42-3)32(23-31(34)36(30)28-18-12-13-19-29(28)37(40)41)39(25-14-8-6-9-15-25)26-16-10-7-11-17-26/h6-24,36H,4-5H2,1-3H3,(H,40,41)