[2-cycloheptyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]carbonyl-1-benzothiophen-6-yl] benzoate

Systemtic Name: [2-cycloheptyl-3-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]carbonyl-1-benzothiophen-6-yl] benzoate Openeye Name: [2-cycloheptyl-3-[4-(3-pyrrolidin-1-ylpropoxy)benzoyl]benzothiophen-6-yl] benzoate CAS Name: benzoic acid [2-cycloheptyl-3-[oxo-[4-[3-(1-pyrrolidinyl)propoxy]phenyl]methyl]-1-benzothiophen-6-yl] ester IUPAC Name: [2-cycloheptyl-3-[4-(3-pyrrolidin-1-ylpropoxy)benzoyl]-1-benzothiophen-6-yl] benzoate Traditional Name: benzoic acid [2-cycloheptyl-3-[4-(3-pyrrolidinopropoxy)benzoyl]benzothiophen-6-yl] ester Formula: C36H39NO4S MolecularWeight: 581.76416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OCCCN6CCCC6

Isomeric SMILES

C1CCCC(CC1)C2=C(C3=C(S2)C=C(C=C3)OC(=O)C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)OCCCN6CCCC6

InChI

InChI=1S/C36H39NO4S/c38-34(26-15-17-29(18-16-26)40-24-10-23-37-21-8-9-22-37)33-31-20-19-30(41-36(39)28-13-6-3-7-14-28)25-32(31)42-35(33)27-11-4-1-2-5-12-27/h3,6-7,13-20,25,27H,1-2,4-5,8-12,21-24H2