[4-[3-[(3-methoxy-4-pyrrolidin-1-yl-phenyl)methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl] morpholine-4-carboxylate

Systemtic Name: [4-[3-[(3-methoxy-4-pyrrolidin-1-yl-phenyl)methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl] morpholine-4-carboxylate Openeye Name: [4-[6-hydroxy-3-[(3-methoxy-4-pyrrolidin-1-yl-phenyl)methyl]benzothiophen-2-yl]phenyl] morpholine-4-carboxylate CAS Name: 4-morpholinecarboxylic acid [4-[6-hydroxy-3-[[3-methoxy-4-(1-pyrrolidinyl)phenyl]methyl]-1-benzothiophen-2-yl]phenyl] ester IUPAC Name: [4-[6-hydroxy-3-[(3-methoxy-4-pyrrolidin-1-ylphenyl)methyl]-1-benzothiophen-2-yl]phenyl] morpholine-4-carboxylate Traditional Name: morpholine-4-carboxylic acid [4-[6-hydroxy-3-(3-methoxy-4-pyrrolidino-benzyl)benzothiophen-2-yl]phenyl] ester Formula: C31H32N2O5S MolecularWeight: 544.66118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OC(=O)N5CCOCC5)N6CCCC6

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OC(=O)N5CCOCC5)N6CCCC6

InChI

InChI=1S/C31H32N2O5S/c1-36-28-19-21(4-11-27(28)32-12-2-3-13-32)18-26-25-10-7-23(34)20-29(25)39-30(26)22-5-8-24(9-6-22)38-31(35)33-14-16-37-17-15-33/h4-11,19-20,34H,2-3,12-18H2,1H3