[1-acetyloxy-1-phenyl-3,3-bis(pyridin-4-ylmethyl)-2H-inden-2-yl] ethanoate dihydrochloride

Systemtic Name: [1-acetyloxy-1-phenyl-3,3-bis(pyridin-4-ylmethyl)-2H-inden-2-yl] ethanoate dihydrochloride Openeye Name: [1-acetoxy-1-phenyl-3,3-bis(4-pyridylmethyl)indan-2-yl] acetate dihydrochloride CAS Name: acetic acid [1-acetyloxy-1-phenyl-3,3-bis(pyridin-4-ylmethyl)-2H-inden-2-yl] ester dihydrochloride IUPAC Name: [1-acetyloxy-1-phenyl-3,3-bis(pyridin-4-ylmethyl)-2H-inden-2-yl] acetate dihydrochloride Traditional Name: acetic acid [1-acetoxy-1-phenyl-3,3-bis(4-pyridylmethyl)indan-2-yl] ester dihydrochloride Formula: C31H30Cl2N2O4 MolecularWeight: 565.4869

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C2=CC=CC=C2C1(C3=CC=CC=C3)OC(=O)C)(CC4=CC=NC=C4)CC5=CC=NC=C5.Cl.Cl

Isomeric SMILES

CC(=O)OC1C(C2=CC=CC=C2C1(C3=CC=CC=C3)OC(=O)C)(CC4=CC=NC=C4)CC5=CC=NC=C5.Cl.Cl

InChI

InChI=1S/C31H28N2O4.2ClH/c1-22(34)36-29-30(20-24-12-16-32-17-13-24,21-25-14-18-33-19-15-25)27-10-6-7-11-28(27)31(29,37-23(2)35)26-8-4-3-5-9-26;;/h3-19,29H,20-21H2,1-2H3;2*1H