benzoic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol

Systemtic Name: benzoic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol Openeye Name: benzoic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[4-(phenoxymethyl)-1-piperidyl]propan-2-ol CAS Name: benzoic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[4-(phenoxymethyl)-1-piperidinyl]-2-propanol IUPAC Name: benzoic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[4-(phenoxymethyl)piperidin-1-yl]propan-2-ol Traditional Name: benzoic acid; 1-[(2-methyl-1H-indol-4-yl)oxy]-3-[4-(phenoxymethyl)piperidino]propan-2-ol Formula: C31H36N2O5 MolecularWeight: 516.62794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC=C2OCC(CN3CCC(CC3)COC4=CC=CC=C4)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC1=CC2=C(N1)C=CC=C2OCC(CN3CCC(CC3)COC4=CC=CC=C4)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C24H30N2O3.C7H6O2/c1-18-14-22-23(25-18)8-5-9-24(22)29-17-20(27)15-26-12-10-19(11-13-26)16-28-21-6-3-2-4-7-21;8-7(9)6-4-2-1-3-5-6/h2-9,14,19-20,25,27H,10-13,15-17H2,1H3;1-5H,(H,8,9)