[4-[6-ethanoyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]-3-methyl-phenyl] propanoate

Systemtic Name: [4-[6-ethanoyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]-3-methyl-phenyl] propanoate Openeye Name: [4-[6-acetyl-3-[[4-[3-(1-piperidyl)propoxy]phenyl]methyl]benzothiophen-2-yl]-3-methyl-phenyl] propanoate CAS Name: propanoic acid [4-[6-acetyl-3-[[4-[3-(1-piperidinyl)propoxy]phenyl]methyl]-1-benzothiophen-2-yl]-3-methylphenyl] ester IUPAC Name: [4-[6-acetyl-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-2-yl]-3-methylphenyl] propanoate Traditional Name: propionic acid [4-[6-acetyl-3-[4-(3-piperidinopropoxy)benzyl]benzothiophen-2-yl]-3-methyl-phenyl] ester Formula: C35H39NO4S MolecularWeight: 569.75346

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)C)CC4=CC=C(C=C4)OCCCN5CCCCC5)C

Isomeric SMILES

CCC(=O)OC1=CC(=C(C=C1)C2=C(C3=C(S2)C=C(C=C3)C(=O)C)CC4=CC=C(C=C4)OCCCN5CCCCC5)C

InChI

InChI=1S/C35H39NO4S/c1-4-34(38)40-29-14-16-30(24(2)21-29)35-32(31-15-11-27(25(3)37)23-33(31)41-35)22-26-9-12-28(13-10-26)39-20-8-19-36-17-6-5-7-18-36/h9-16,21,23H,4-8,17-20,22H2,1-3H3