N-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]ethanamine; ethyl benzoate

Systemtic Name: N-[(5-chloranyl-2-phenylmethoxy-phenyl)methyl]ethanamine; ethyl benzoate Openeye Name: N-[(2-benzyloxy-5-chloro-phenyl)methyl]ethanamine; ethyl benzoate CAS Name: benzoic acid ethyl ester; N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine IUPAC Name: N-[(5-chloro-2-phenylmethoxyphenyl)methyl]ethanamine; ethyl benzoate Traditional Name: benzoic acid ethyl ester; (2-benzoxy-5-chloro-benzyl)-ethyl-amine Formula: C25H28ClNO3 MolecularWeight: 425.94772

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2.CCOC(=O)C1=CC=CC=C1

Isomeric SMILES

CCNCC1=C(C=CC(=C1)Cl)OCC2=CC=CC=C2.CCOC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H18ClNO.C9H10O2/c1-2-18-11-14-10-15(17)8-9-16(14)19-12-13-6-4-3-5-7-13;1-2-11-9(10)8-6-4-3-5-7-8/h3-10,18H,2,11-12H2,1H3;3-7H,2H2,1H3