methyl 2-[2-[(2-chlorophenyl)amino]-6-(dibutylamino)-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[2-[(2-chlorophenyl)amino]-6-(dibutylamino)-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[2-(2-chloroanilino)-6-(dibutylamino)-9H-xanthen-9-yl]benzoate CAS Name: 2-[2-(2-chloroanilino)-6-(dibutylamino)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-chloroanilino)-6-(dibutylamino)-9H-xanthen-9-yl]benzoate Traditional Name: 2-[2-(2-chloroanilino)-6-(dibutylamino)-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C35H37ClN2O3 MolecularWeight: 569.13288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C(C3=C(O2)C=CC(=C3)NC4=CC=CC=C4Cl)C5=CC=CC=C5C(=O)OC

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C(C3=C(O2)C=CC(=C3)NC4=CC=CC=C4Cl)C5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C35H37ClN2O3/c1-4-6-20-38(21-7-5-2)25-17-18-28-33(23-25)41-32-19-16-24(37-31-15-11-10-14-30(31)36)22-29(32)34(28)26-12-8-9-13-27(26)35(39)40-3/h8-19,22-23,34,37H,4-7,20-21H2,1-3H3