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

Systemtic Name: benzoic acid; 1-[4-[(3-chloranylphenoxy)methyl]piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol Openeye Name: benzoic acid; 1-[4-[(3-chlorophenoxy)methyl]-1-piperidyl]-3-(1H-indol-4-yloxy)propan-2-ol CAS Name: benzoic acid; 1-[4-[(3-chlorophenoxy)methyl]-1-piperidinyl]-3-(1H-indol-4-yloxy)-2-propanol IUPAC Name: benzoic acid; 1-[4-[(3-chlorophenoxy)methyl]piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol Traditional Name: benzoic acid; 1-[4-[(3-chlorophenoxy)methyl]piperidino]-3-(1H-indol-4-yloxy)propan-2-ol Formula: C30H33ClN2O5 MolecularWeight: 537.04642

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1COC2=CC(=CC=C2)Cl)CC(COC3=CC=CC4=C3C=CN4)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CN(CCC1COC2=CC(=CC=C2)Cl)CC(COC3=CC=CC4=C3C=CN4)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C23H27ClN2O3.C7H6O2/c24-18-3-1-4-20(13-18)28-15-17-8-11-26(12-9-17)14-19(27)16-29-23-6-2-5-22-21(23)7-10-25-22;8-7(9)6-4-2-1-3-5-6/h1-7,10,13,17,19,25,27H,8-9,11-12,14-16H2;1-5H,(H,8,9)