methyl 2-[6-(dibutylamino)-3-methyl-2-phenylazanyl-9H-xanthen-9-yl]-5-methoxy-benzoate

Systemtic Name: methyl 2-[6-(dibutylamino)-3-methyl-2-phenylazanyl-9H-xanthen-9-yl]-5-methoxy-benzoate Openeye Name: methyl 2-[2-anilino-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]-5-methoxy-benzoate CAS Name: 2-[2-anilino-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]-5-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-[2-anilino-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]-5-methoxybenzoate Traditional Name: 2-[2-anilino-6-(dibutylamino)-3-methyl-9H-xanthen-9-yl]-5-methoxy-benzoic acid methyl ester Formula: C37H42N2O4 MolecularWeight: 578.74038

Click to see the large picture

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=C(C=C(C=C5)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C37H42N2O4/c1-6-8-19-39(20-9-7-2)27-15-17-30-35(22-27)43-34-21-25(3)33(38-26-13-11-10-12-14-26)24-32(34)36(30)29-18-16-28(41-4)23-31(29)37(40)42-5/h10-18,21-24,36,38H,6-9,19-20H2,1-5H3