N-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]heptan-1-amine

Systemtic Name: N-[(3-chloranyl-5-methoxy-4-phenylmethoxy-phenyl)methyl]heptan-1-amine Openeye Name: N-[(4-benzyloxy-3-chloro-5-methoxy-phenyl)methyl]heptan-1-amine CAS Name: N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]-1-heptanamine IUPAC Name: N-[(3-chloro-5-methoxy-4-phenylmethoxyphenyl)methyl]heptan-1-amine Traditional Name: (4-benzoxy-3-chloro-5-methoxy-benzyl)-heptyl-amine Formula: C22H30ClNO2 MolecularWeight: 375.9321

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCCNCC1=CC(=C(C(=C1)Cl)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C22H30ClNO2/c1-3-4-5-6-10-13-24-16-19-14-20(23)22(21(15-19)25-2)26-17-18-11-8-7-9-12-18/h7-9,11-12,14-15,24H,3-6,10,13,16-17H2,1-2H3