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

Systemtic Name: butyl 2-[3-chloranyl-6-(diethylamino)-2-pyrrolidin-1-yl-9H-xanthen-9-yl]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C32H37ClN2O3 MolecularWeight: 533.10078

Click to see the large picture

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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C32H37ClN2O3/c1-4-7-18-37-32(36)24-13-9-8-12-23(24)31-25-15-14-22(34(5-2)6-3)19-29(25)38-30-21-27(33)28(20-26(30)31)35-16-10-11-17-35/h8-9,12-15,19-21,31H,4-7,10-11,16-18H2,1-3H3