N-[(3-chloranyl-4-heptoxy-5-methoxy-phenyl)methyl]ethanamine

Systemtic Name: N-[(3-chloranyl-4-heptoxy-5-methoxy-phenyl)methyl]ethanamine Openeye Name: N-[(3-chloro-4-heptoxy-5-methoxy-phenyl)methyl]ethanamine CAS Name: N-[(3-chloro-4-heptoxy-5-methoxyphenyl)methyl]ethanamine IUPAC Name: N-[(3-chloro-4-heptoxy-5-methoxyphenyl)methyl]ethanamine Traditional Name: (3-chloro-4-heptoxy-5-methoxy-benzyl)-ethyl-amine Formula: C17H28ClNO2 MolecularWeight: 313.86272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1Cl)CNCC)OC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1Cl)CNCC)OC

InChI

InChI=1S/C17H28ClNO2/c1-4-6-7-8-9-10-21-17-15(18)11-14(13-19-5-2)12-16(17)20-3/h11-12,19H,4-10,13H2,1-3H3