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

Systemtic Name: methyl 2-[6-(diethylamino)-3-ethyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 2-[6-(diethylamino)-3-ethyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate CAS Name: 2-[6-(diethylamino)-3-ethyl-2-(1-pyrrolidinyl)-9H-xanthen-9-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[6-(diethylamino)-3-ethyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[6-(diethylamino)-3-ethyl-2-pyrrolidino-9H-xanthen-9-yl]benzoic acid methyl ester Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=CC=CC=C4C(=O)OC)N5CCCC5

Isomeric SMILES

CCC1=C(C=C2C(C3=C(C=C(C=C3)N(CC)CC)OC2=C1)C4=CC=CC=C4C(=O)OC)N5CCCC5

InChI

InChI=1S/C31H36N2O3/c1-5-21-18-28-26(20-27(21)33-16-10-11-17-33)30(23-12-8-9-13-24(23)31(34)35-4)25-15-14-22(19-29(25)36-28)32(6-2)7-3/h8-9,12-15,18-20,30H,5-7,10-11,16-17H2,1-4H3