N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine; 2-oxidanyl-2-phenyl-ethanoic acid

Systemtic Name: N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine; 2-oxidanyl-2-phenyl-ethanoic acid Openeye Name: 2-hydroxy-2-phenyl-acetic acid; N-methyl-3-(2-methylphenoxy)-3-phenyl-propan-1-amine CAS Name: 2-hydroxy-2-phenylacetic acid; N-methyl-3-(2-methylphenoxy)-3-phenyl-1-propanamine IUPAC Name: 2-hydroxy-2-phenylacetic acid; N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine Traditional Name: madelic acid; methyl-[3-(2-methylphenoxy)-3-phenyl-propyl]amine Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.C1=CC=C(C=C1)C(C(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.C1=CC=C(C=C1)C(C(=O)O)O

InChI

InChI=1S/C17H21NO.C8H8O3/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;9-7(8(10)11)6-4-2-1-3-5-6/h3-11,17-18H,12-13H2,1-2H3;1-5,7,9H,(H,10,11)