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

Systemtic Name: hexyl 2-[3-chloranyl-6-(diethylamino)-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C34H41ClN2O3 MolecularWeight: 561.15394

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C34H41ClN2O3/c1-4-7-8-13-20-39-34(38)26-15-10-9-14-25(26)33-27-17-16-24(36(5-2)6-3)21-31(27)40-32-23-29(35)30(22-28(32)33)37-18-11-12-19-37/h9-10,14-17,21-23,33H,4-8,11-13,18-20H2,1-3H3