methyl 2-[3-chloranyl-6-(diethylamino)-2-(diphenylamino)-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[3-chloranyl-6-(diethylamino)-2-(diphenylamino)-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[3-chloro-6-(diethylamino)-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoate CAS Name: 2-[3-chloro-6-(diethylamino)-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-chloro-6-(diethylamino)-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoate Traditional Name: 2-[3-chloro-6-(diethylamino)-2-(N-phenylanilino)-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C37H33ClN2O3 MolecularWeight: 589.12252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H33ClN2O3/c1-4-39(5-2)27-20-21-30-34(22-27)43-35-24-32(38)33(40(25-14-8-6-9-15-25)26-16-10-7-11-17-26)23-31(35)36(30)28-18-12-13-19-29(28)37(41)42-3/h6-24,36H,4-5H2,1-3H3