3-(3,4-dichlorophenyl)-4-methoxy-4-oxidanylidene-butanoic acid; 1-phenyl-N-(phenylmethyl)ethanamine

Systemtic Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxidanylidene-butanoic acid; 1-phenyl-N-(phenylmethyl)ethanamine Openeye Name: N-benzyl-1-phenyl-ethanamine; 3-(3,4-dichlorophenyl)-4-methoxy-4-oxo-butanoic acid CAS Name: 3-(3,4-dichlorophenyl)-4-methoxy-4-oxobutanoic acid; 1-phenyl-N-(phenylmethyl)ethanamine IUPAC Name: N-benzyl-1-phenylethanamine; 3-(3,4-dichlorophenyl)-4-methoxy-4-oxobutanoic acid Traditional Name: benzyl(1-phenylethyl)amine; 3-(3,4-dichlorophenyl)-4-keto-4-methoxy-butyric acid Formula: C26H27Cl2NO4 MolecularWeight: 488.40288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NCC2=CC=CC=C2.COC(=O)C(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NCC2=CC=CC=C2.COC(=O)C(CC(=O)O)C1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C15H17N.C11H10Cl2O4/c1-13(15-10-6-3-7-11-15)16-12-14-8-4-2-5-9-14;1-17-11(16)7(5-10(14)15)6-2-3-8(12)9(13)4-6/h2-11,13,16H,12H2,1H3;2-4,7H,5H2,1H3,(H,14,15)