butyl 2-[6-(diethylamino)-2-(diphenylamino)-3-ethoxy-9H-xanthen-9-yl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N(CC)CC)OC4=CC(=C(C=C24)N(C5=CC=CC=C5)C6=CC=CC=C6)OCC

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N(CC)CC)OC4=CC(=C(C=C24)N(C5=CC=CC=C5)C6=CC=CC=C6)OCC

InChI

InChI=1S/C42H44N2O4/c1-5-9-26-47-42(45)34-23-17-16-22-33(34)41-35-25-24-32(43(6-2)7-3)27-38(35)48-39-29-40(46-8-4)37(28-36(39)41)44(30-18-12-10-13-19-30)31-20-14-11-15-21-31/h10-25,27-29,41H,5-9,26H2,1-4H3