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

Systemtic Name: methyl 2-[6-(dibutylamino)-3-methyl-2-phenylazanyl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[2-anilino-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoate CAS Name: 2-[2-anilino-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[2-anilino-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[2-anilino-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C36H40N2O3 MolecularWeight: 548.7144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)NC4=CC=CC=C4)C5=CC=CC=C5C(=O)OC

Isomeric SMILES

CCCCN(CCCC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)NC4=CC=CC=C4)C5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C36H40N2O3/c1-5-7-20-38(21-8-6-2)27-18-19-30-34(23-27)41-33-22-25(3)32(37-26-14-10-9-11-15-26)24-31(33)35(30)28-16-12-13-17-29(28)36(39)40-4/h9-19,22-24,35,37H,5-8,20-21H2,1-4H3