[2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3H-inden-5-yl] benzoate

Systemtic Name: [2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3H-inden-5-yl] benzoate Openeye Name: [2-phenyl-1-[[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-3H-inden-5-yl] benzoate CAS Name: benzoic acid [2-phenyl-1-[[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-3H-inden-5-yl] ester IUPAC Name: [2-phenyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-3H-inden-5-yl] benzoate Traditional Name: benzoic acid [2-phenyl-1-[4-(2-piperidinoethoxy)benzyl]-3H-inden-5-yl] ester Formula: C36H35NO3 MolecularWeight: 529.668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3=C(CC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)CC3=C(CC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H35NO3/c38-36(29-12-6-2-7-13-29)40-32-18-19-33-30(25-32)26-34(28-10-4-1-5-11-28)35(33)24-27-14-16-31(17-15-27)39-23-22-37-20-8-3-9-21-37/h1-2,4-7,10-19,25H,3,8-9,20-24,26H2