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

Systemtic Name: 3-[3-[di(propan-2-yl)amino]-1-phenyl-propyl]-4-phenylmethoxy-benzoic acid hydrochloride Openeye Name: 4-benzyloxy-3-[3-(diisopropylamino)-1-phenyl-propyl]benzoic acid hydrochloride CAS Name: 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxybenzoic acid hydrochloride IUPAC Name: 3-[3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-phenylmethoxybenzoic acid hydrochloride Traditional Name: 4-benzoxy-3-[3-(diisopropylamino)-1-phenyl-propyl]benzoic acid hydrochloride Formula: C29H36ClNO3 MolecularWeight: 482.05404

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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)C(C)C.Cl

Isomeric SMILES

CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)C(=O)O)OCC3=CC=CC=C3)C(C)C.Cl

InChI

InChI=1S/C29H35NO3.ClH/c1-21(2)30(22(3)4)18-17-26(24-13-9-6-10-14-24)27-19-25(29(31)32)15-16-28(27)33-20-23-11-7-5-8-12-23;/h5-16,19,21-22,26H,17-18,20H2,1-4H3,(H,31,32);1H