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

Systemtic Name: ethyl 2-[6-(diethylamino)-3-methoxy-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: ethyl 2-[6-(diethylamino)-3-methoxy-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate CAS Name: 2-[6-(diethylamino)-3-methoxy-2-(1-pyrrolidinyl)-9H-xanthen-9-yl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[6-(diethylamino)-3-methoxy-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[6-(diethylamino)-3-methoxy-2-pyrrolidino-9H-xanthen-9-yl]benzoic acid ethyl ester Formula: C31H36N2O4 MolecularWeight: 500.62854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)OC)N4CCCC4)C5=CC=CC=C5C(=O)OCC

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(C3=CC(=C(C=C3O2)OC)N4CCCC4)C5=CC=CC=C5C(=O)OCC

InChI

InChI=1S/C31H36N2O4/c1-5-32(6-2)21-14-15-24-27(18-21)37-28-20-29(35-4)26(33-16-10-11-17-33)19-25(28)30(24)22-12-8-9-13-23(22)31(34)36-7-3/h8-9,12-15,18-20,30H,5-7,10-11,16-17H2,1-4H3