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

Systemtic Name: methyl 2-[3-chloranyl-6-(diethylamino)-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C29H31ClN2O3 MolecularWeight: 491.02104

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN2O3/c1-4-31(5-2)19-12-13-22-26(16-19)35-27-18-24(30)25(32-14-8-9-15-32)17-23(27)28(22)20-10-6-7-11-21(20)29(33)34-3/h6-7,10-13,16-18,28H,4-5,8-9,14-15H2,1-3H3