3-(3,4-dichlorophenyl)-4-oxidanylidene-4-phenylmethoxy-butanoic acid; 1-phenylethanamine

Systemtic Name: 3-(3,4-dichlorophenyl)-4-oxidanylidene-4-phenylmethoxy-butanoic acid; 1-phenylethanamine Openeye Name: 4-benzyloxy-3-(3,4-dichlorophenyl)-4-oxo-butanoic acid; 1-phenylethanamine CAS Name: 3-(3,4-dichlorophenyl)-4-oxo-4-phenylmethoxybutanoic acid; 1-phenylethanamine IUPAC Name: 3-(3,4-dichlorophenyl)-4-oxo-4-phenylmethoxybutanoic acid; 1-phenylethanamine Traditional Name: 4-benzoxy-3-(3,4-dichlorophenyl)-4-keto-butyric acid; 1-phenylethylamine Formula: C25H25Cl2NO4 MolecularWeight: 474.3763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N.C1=CC=C(C=C1)COC(=O)C(CC(=O)O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)N.C1=CC=C(C=C1)COC(=O)C(CC(=O)O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H14Cl2O4.C8H11N/c18-14-7-6-12(8-15(14)19)13(9-16(20)21)17(22)23-10-11-4-2-1-3-5-11;1-7(9)8-5-3-2-4-6-8/h1-8,13H,9-10H2,(H,20,21);2-7H,9H2,1H3