4-phenylmethoxy-3-[1-phenyl-3-[(phenylmethyl)-propan-2-yl-amino]propyl]benzoic acid

Systemtic Name: 4-phenylmethoxy-3-[1-phenyl-3-[(phenylmethyl)-propan-2-yl-amino]propyl]benzoic acid Openeye Name: 3-[3-[benzyl(isopropyl)amino]-1-phenyl-propyl]-4-benzyloxy-benzoic acid CAS Name: 4-phenylmethoxy-3-[1-phenyl-3-[(phenylmethyl)-propan-2-ylamino]propyl]benzoic acid IUPAC Name: 3-[3-[benzyl(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxybenzoic acid Traditional Name: 4-benzoxy-3-[3-[benzyl(isopropyl)amino]-1-phenyl-propyl]benzoic acid Formula: C33H35NO3 MolecularWeight: 493.6359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)O)OCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)O)OCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C33H35NO3/c1-25(2)34(23-26-12-6-3-7-13-26)21-20-30(28-16-10-5-11-17-28)31-22-29(33(35)36)18-19-32(31)37-24-27-14-8-4-9-15-27/h3-19,22,25,30H,20-21,23-24H2,1-2H3,(H,35,36)