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

Systemtic Name: methyl 2-[6-(diethylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C30H34N2O3 MolecularWeight: 470.60256

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C30H34N2O3/c1-5-31(6-2)21-13-14-24-28(18-21)35-27-17-20(3)26(32-15-9-10-16-32)19-25(27)29(24)22-11-7-8-12-23(22)30(33)34-4/h7-8,11-14,17-19,29H,5-6,9-10,15-16H2,1-4H3