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

Systemtic Name: [3-[4-[3-(azepan-1-yl)propoxy]phenyl]carbonyl-2-cycloheptyl-1-benzothiophen-6-yl] benzoate Openeye Name: [3-[4-[3-(azepan-1-yl)propoxy]benzoyl]-2-cycloheptyl-benzothiophen-6-yl] benzoate CAS Name: benzoic acid [3-[[4-[3-(1-azepanyl)propoxy]phenyl]-oxomethyl]-2-cycloheptyl-1-benzothiophen-6-yl] ester IUPAC Name: [3-[4-[3-(azepan-1-yl)propoxy]benzoyl]-2-cycloheptyl-1-benzothiophen-6-yl] benzoate Traditional Name: benzoic acid [3-[4-[3-(azepan-1-yl)propoxy]benzoyl]-2-cycloheptyl-benzothiophen-6-yl] ester Formula: C38H43NO4S MolecularWeight: 609.81732

Click to see the large picture

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)OCCCN6CCCCCC6

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)OCCCN6CCCCCC6

InChI

InChI=1S/C38H43NO4S/c40-36(28-17-19-31(20-18-28)42-26-12-25-39-23-10-3-4-11-24-39)35-33-22-21-32(43-38(41)30-15-8-5-9-16-30)27-34(33)44-37(35)29-13-6-1-2-7-14-29/h5,8-9,15-22,27,29H,1-4,6-7,10-14,23-26H2