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

Systemtic Name: [2-cycloheptyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]carbonyl-1-benzothiophen-6-yl] benzoate Openeye Name: [2-cycloheptyl-3-[4-[3-(1-piperidyl)propoxy]benzoyl]benzothiophen-6-yl] benzoate CAS Name: benzoic acid [2-cycloheptyl-3-[oxo-[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophen-6-yl] ester IUPAC Name: [2-cycloheptyl-3-[4-(3-piperidin-1-ylpropoxy)benzoyl]-1-benzothiophen-6-yl] benzoate Traditional Name: benzoic acid [2-cycloheptyl-3-[4-(3-piperidinopropoxy)benzoyl]benzothiophen-6-yl] ester Formula: C37H41NO4S MolecularWeight: 595.79074

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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)OCCCN6CCCCC6

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)OCCCN6CCCCC6

InChI

InChI=1S/C37H41NO4S/c39-35(27-16-18-30(19-17-27)41-25-11-24-38-22-9-4-10-23-38)34-32-21-20-31(42-37(40)29-14-7-3-8-15-29)26-33(32)43-36(34)28-12-5-1-2-6-13-28/h3,7-8,14-21,26,28H,1-2,4-6,9-13,22-25H2