N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]ethanamine; 3-ethoxybenzoic acid

Systemtic Name: N-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]ethanamine; 3-ethoxybenzoic acid Openeye Name: N-[(2-benzyloxy-5-bromo-phenyl)methyl]ethanamine; 3-ethoxybenzoic acid CAS Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]ethanamine; 3-ethoxybenzoic acid IUPAC Name: N-[(5-bromo-2-phenylmethoxyphenyl)methyl]ethanamine; 3-ethoxybenzoic acid Traditional Name: (2-benzoxy-5-bromo-benzyl)-ethyl-amine; 3-ethoxybenzoic acid Formula: C25H28BrNO4 MolecularWeight: 486.39812

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.CCOC1=CC=CC(=C1)C(=O)O

Isomeric SMILES

CCNCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2.CCOC1=CC=CC(=C1)C(=O)O

InChI

InChI=1S/C16H18BrNO.C9H10O3/c1-2-18-11-14-10-15(17)8-9-16(14)19-12-13-6-4-3-5-7-13;1-2-12-8-5-3-4-7(6-8)9(10)11/h3-10,18H,2,11-12H2,1H3;3-6H,2H2,1H3,(H,10,11)