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

Systemtic Name: methyl 2-[3-acetamido-6-(diethylamino)-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[3-acetamido-6-(diethylamino)-9H-xanthen-9-yl]benzoate CAS Name: 2-[3-acetamido-6-(diethylamino)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-acetamido-6-(diethylamino)-9H-xanthen-9-yl]benzoate Traditional Name: 2-[3-acetamido-6-(diethylamino)-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)NC(=O)C)C4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)C=C(C=C3)NC(=O)C)C4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H28N2O4/c1-5-29(6-2)19-12-14-23-25(16-19)33-24-15-18(28-17(3)30)11-13-22(24)26(23)20-9-7-8-10-21(20)27(31)32-4/h7-16,26H,5-6H2,1-4H3,(H,28,30)