methyl 2-[6-(dibutylamino)-2-(diphenylamino)-3-methoxy-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[6-(dibutylamino)-2-(diphenylamino)-3-methoxy-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[6-(dibutylamino)-3-methoxy-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoate CAS Name: 2-[6-(dibutylamino)-3-methoxy-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[6-(dibutylamino)-3-methoxy-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoate Traditional Name: 2-[6-(dibutylamino)-3-methoxy-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C42H44N2O4 MolecularWeight: 640.80976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)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)OC

Isomeric SMILES

CCCCN(CCCC)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)OC

InChI

InChI=1S/C42H44N2O4/c1-5-7-25-43(26-8-6-2)32-23-24-35-38(27-32)48-39-29-40(46-3)37(44(30-17-11-9-12-18-30)31-19-13-10-14-20-31)28-36(39)41(35)33-21-15-16-22-34(33)42(45)47-4/h9-24,27-29,41H,5-8,25-26H2,1-4H3