[3-[3-[4-(diphenylmethyl)piperazin-1-yl]propoxy]quinolin-2-yl] ethanoate

Systemtic Name: [3-[3-[4-(diphenylmethyl)piperazin-1-yl]propoxy]quinolin-2-yl] ethanoate Openeye Name: [3-[3-(4-benzhydrylpiperazin-1-yl)propoxy]-2-quinolyl] acetate CAS Name: acetic acid [3-[3-[4-(diphenylmethyl)-1-piperazinyl]propoxy]-2-quinolinyl] ester IUPAC Name: [3-[3-(4-benzhydrylpiperazin-1-yl)propoxy]quinolin-2-yl] acetate Traditional Name: acetic acid [3-[3-(4-benzhydrylpiperazino)propoxy]-2-quinolyl] ester Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=NC2=CC=CC=C2C=C1OCCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=O)OC1=NC2=CC=CC=C2C=C1OCCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N3O3/c1-24(35)37-31-29(23-27-15-8-9-16-28(27)32-31)36-22-10-17-33-18-20-34(21-19-33)30(25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-9,11-16,23,30H,10,17-22H2,1H3