methyl 2-[2-[bis(4-methylphenyl)amino]-6-(dibutylamino)-3-methoxy-9H-xanthen-9-yl]benzoate

Systemtic Name: methyl 2-[2-[bis(4-methylphenyl)amino]-6-(dibutylamino)-3-methoxy-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[6-(dibutylamino)-3-methoxy-2-[4-methyl-N-(p-tolyl)anilino]-9H-xanthen-9-yl]benzoate CAS Name: 2-[6-(dibutylamino)-3-methoxy-2-(4-methyl-N-(4-methylphenyl)anilino)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[6-(dibutylamino)-3-methoxy-2-(4-methyl-N-(4-methylphenyl)anilino)-9H-xanthen-9-yl]benzoate Traditional Name: 2-[6-(dibutylamino)-3-methoxy-2-[4-methyl-N-(p-tolyl)anilino]-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C44H48N2O4 MolecularWeight: 668.86292

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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=C(C=C4)C)C5=CC=C(C=C5)C)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=C(C=C4)C)C5=CC=C(C=C5)C)C6=CC=CC=C6C(=O)OC

InChI

InChI=1S/C44H48N2O4/c1-7-9-25-45(26-10-8-2)34-23-24-37-40(27-34)50-41-29-42(48-5)39(28-38(41)43(37)35-13-11-12-14-36(35)44(47)49-6)46(32-19-15-30(3)16-20-32)33-21-17-31(4)18-22-33/h11-24,27-29,43H,7-10,25-26H2,1-6H3