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

Systemtic Name: hexyl 2-[6-(diethylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C35H44N2O3 MolecularWeight: 540.73546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N(CC)CC)OC4=CC(=C(C=C24)N5CCCC5)C

Isomeric SMILES

CCCCCCOC(=O)C1=CC=CC=C1C2C3=C(C=C(C=C3)N(CC)CC)OC4=CC(=C(C=C24)N5CCCC5)C

InChI

InChI=1S/C35H44N2O3/c1-5-8-9-14-21-39-35(38)28-16-11-10-15-27(28)34-29-18-17-26(36(6-2)7-3)23-33(29)40-32-22-25(4)31(24-30(32)34)37-19-12-13-20-37/h10-11,15-18,22-24,34H,5-9,12-14,19-21H2,1-4H3