ethanedioic acid; 3-[4-(2-phenylpropan-2-yl)phenoxy]-N-prop-2-enyl-propan-1-amine

Systemtic Name: ethanedioic acid; 3-[4-(2-phenylpropan-2-yl)phenoxy]-N-prop-2-enyl-propan-1-amine Openeye Name: N-allyl-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propan-1-amine; oxalic acid CAS Name: oxalic acid; 3-[4-(2-phenylpropan-2-yl)phenoxy]-N-prop-2-enyl-1-propanamine IUPAC Name: oxalic acid; 3-[4-(2-phenylpropan-2-yl)phenoxy]-N-prop-2-enylpropan-1-amine Traditional Name: allyl-[3-(4-cumylphenoxy)propyl]amine; oxalic acid Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCCNCC=C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCCCNCC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27NO.C2H2O4/c1-4-15-22-16-8-17-23-20-13-11-19(12-14-20)21(2,3)18-9-6-5-7-10-18;3-1(4)2(5)6/h4-7,9-14,22H,1,8,15-17H2,2-3H3;(H,3,4)(H,5,6)