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

Systemtic Name: butyl 2-[6-(diethylamino)-3-methyl-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C33H40N2O3 MolecularWeight: 512.6823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H40N2O3/c1-5-8-19-37-33(36)26-14-10-9-13-25(26)32-27-16-15-24(34(6-2)7-3)21-31(27)38-30-20-23(4)29(22-28(30)32)35-17-11-12-18-35/h9-10,13-16,20-22,32H,5-8,11-12,17-19H2,1-4H3