(5-bromanyl-2-phenylmethoxy-phenyl)methanamine; 3-ethoxybenzoate

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methanamine; 3-ethoxybenzoate Openeye Name: (2-benzyloxy-5-bromo-phenyl)methanamine; 3-ethoxybenzoate CAS Name: (5-bromo-2-phenylmethoxyphenyl)methanamine; 3-ethoxybenzoate IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methanamine; 3-ethoxybenzoate Traditional Name: (2-benzoxy-5-bromo-benzyl)amine; 3-ethoxybenzoate Formula: C23H23BrNO4- MolecularWeight: 457.33702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)[O-].C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)[O-].C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CN

InChI

InChI=1S/C14H14BrNO.C9H10O3/c15-13-6-7-14(12(8-13)9-16)17-10-11-4-2-1-3-5-11;1-2-12-8-5-3-4-7(6-8)9(10)11/h1-8H,9-10,16H2;3-6H,2H2,1H3,(H,10,11)/p-1