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

Systemtic Name: ethyl 2-[3-chloranyl-6-(diethylamino)-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: ethyl 2-[3-chloro-6-(diethylamino)-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate CAS Name: 2-[3-chloro-6-(diethylamino)-2-(1-pyrrolidinyl)-9H-xanthen-9-yl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[3-chloro-6-(diethylamino)-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Traditional Name: 2-[3-chloro-6-(diethylamino)-2-pyrrolidino-9H-xanthen-9-yl]benzoic acid ethyl ester Formula: C30H33ClN2O3 MolecularWeight: 505.04762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H33ClN2O3/c1-4-32(5-2)20-13-14-23-27(17-20)36-28-19-25(31)26(33-15-9-10-16-33)18-24(28)29(23)21-11-7-8-12-22(21)30(34)35-6-3/h7-8,11-14,17-19,29H,4-6,9-10,15-16H2,1-3H3