(phenylmethyl) 2-[6-(diethylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate

Systemtic Name: (phenylmethyl) 2-[6-(diethylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: benzyl 2-[6-(diethylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate CAS Name: 2-[6-(diethylamino)-3-methyl-2-(1-pyrrolidinyl)-9H-xanthen-9-yl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[6-(diethylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[6-(diethylamino)-3-methyl-2-pyrrolidino-9H-xanthen-9-yl]benzoic acid benzyl ester Formula: C36H38N2O3 MolecularWeight: 546.69852

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)N4CCCC4)C5=CC=CC=C5C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)C)N4CCCC4)C5=CC=CC=C5C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C36H38N2O3/c1-4-37(5-2)27-17-18-30-34(22-27)41-33-21-25(3)32(38-19-11-12-20-38)23-31(33)35(30)28-15-9-10-16-29(28)36(39)40-24-26-13-7-6-8-14-26/h6-10,13-18,21-23,35H,4-5,11-12,19-20,24H2,1-3H3