N-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]heptan-1-amine

Systemtic Name: N-[[3-chloranyl-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]heptan-1-amine Openeye Name: N-[[3-chloro-5-methoxy-4-(2-thienylmethoxy)phenyl]methyl]heptan-1-amine CAS Name: N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-1-heptanamine IUPAC Name: N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]heptan-1-amine Traditional Name: [3-chloro-5-methoxy-4-(2-thenyloxy)benzyl]-heptyl-amine Formula: C20H28ClNO2S MolecularWeight: 381.95982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC(=C(C(=C1)Cl)OCC2=CC=CS2)OC

Isomeric SMILES

CCCCCCCNCC1=CC(=C(C(=C1)Cl)OCC2=CC=CS2)OC

InChI

InChI=1S/C20H28ClNO2S/c1-3-4-5-6-7-10-22-14-16-12-18(21)20(19(13-16)23-2)24-15-17-9-8-11-25-17/h8-9,11-13,22H,3-7,10,14-15H2,1-2H3