4-[[[1-(diphenylmethyl)oxy-2-methyl-propyl]-methyl-amino]methyl]benzoic acid hydrochloride

Systemtic Name: 4-[[[1-(diphenylmethyl)oxy-2-methyl-propyl]-methyl-amino]methyl]benzoic acid hydrochloride Openeye Name: 4-[[(1-benzhydryloxy-2-methyl-propyl)-methyl-amino]methyl]benzoic acid hydrochloride CAS Name: 4-[[[1-(diphenylmethyl)oxy-2-methylpropyl]-methylamino]methyl]benzoic acid hydrochloride IUPAC Name: 4-[[(1-benzhydryloxy-2-methylpropyl)-methylamino]methyl]benzoic acid hydrochloride Traditional Name: 4-[[(1-benzhydryloxy-2-methyl-propyl)-methyl-amino]methyl]benzoic acid hydrochloride Formula: C26H30ClNO3 MolecularWeight: 439.9743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(N(C)CC1=CC=C(C=C1)C(=O)O)OC(C2=CC=CC=C2)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(C)C(N(C)CC1=CC=C(C=C1)C(=O)O)OC(C2=CC=CC=C2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C26H29NO3.ClH/c1-19(2)25(27(3)18-20-14-16-23(17-15-20)26(28)29)30-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22;/h4-17,19,24-25H,18H2,1-3H3,(H,28,29);1H