N-[(3-bromanyl-4-methoxy-phenyl)methyl]-3-methyl-aniline; ethanedioic acid

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)methyl]-3-methyl-aniline; ethanedioic acid Openeye Name: N-[(3-bromo-4-methoxy-phenyl)methyl]-3-methyl-aniline; oxalic acid CAS Name: N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline; oxalic acid IUPAC Name: N-[(3-bromo-4-methoxyphenyl)methyl]-3-methylaniline; oxalic acid Traditional Name: (3-bromo-4-methoxy-benzyl)-(m-tolyl)amine; oxalic acid Formula: C17H18BrNO5 MolecularWeight: 396.23252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCC2=CC(=C(C=C2)OC)Br.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)NCC2=CC(=C(C=C2)OC)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16BrNO.C2H2O4/c1-11-4-3-5-13(8-11)17-10-12-6-7-15(18-2)14(16)9-12;3-1(4)2(5)6/h3-9,17H,10H2,1-2H3;(H,3,4)(H,5,6)