2,2-diphenylethanoic acid; 3-(1-phenylpropan-2-ylamino)propanenitrile

Systemtic Name: 2,2-diphenylethanoic acid; 3-(1-phenylpropan-2-ylamino)propanenitrile Openeye Name: 2,2-diphenylacetic acid; 3-[(1-methyl-2-phenyl-ethyl)amino]propanenitrile CAS Name: 2,2-diphenylacetic acid; 3-(1-phenylpropan-2-ylamino)propanenitrile IUPAC Name: 2,2-diphenylacetic acid; 3-(1-phenylpropan-2-ylamino)propanenitrile Traditional Name: 2,2-diphenylacetic acid; 3-[(1-methyl-2-phenyl-ethyl)amino]propionitrile Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)NCCC#N.C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)NCCC#N.C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H12O2.C12H16N2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h1-10,13H,(H,15,16);2-4,6-7,11,14H,5,9-10H2,1H3