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

Systemtic Name: [4-[3-[(3-methoxy-4-pyrrolidin-1-yl-phenyl)methyl]-6-oxidanyl-1-benzothiophen-2-yl]phenyl] pyrrolidine-1-carboxylate Openeye Name: [4-[6-hydroxy-3-[(3-methoxy-4-pyrrolidin-1-yl-phenyl)methyl]benzothiophen-2-yl]phenyl] pyrrolidine-1-carboxylate CAS Name: 1-pyrrolidinecarboxylic 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] pyrrolidine-1-carboxylate Traditional Name: pyrrolidine-1-carboxylic acid [4-[6-hydroxy-3-(3-methoxy-4-pyrrolidino-benzyl)benzothiophen-2-yl]phenyl] ester Formula: C31H32N2O4S MolecularWeight: 528.66178

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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)N5CCCC5)N6CCCC6

Isomeric SMILES

COC1=C(C=CC(=C1)CC2=C(SC3=C2C=CC(=C3)O)C4=CC=C(C=C4)OC(=O)N5CCCC5)N6CCCC6

InChI

InChI=1S/C31H32N2O4S/c1-36-28-19-21(6-13-27(28)32-14-2-3-15-32)18-26-25-12-9-23(34)20-29(25)38-30(26)22-7-10-24(11-8-22)37-31(35)33-16-4-5-17-33/h6-13,19-20,34H,2-5,14-18H2,1H3