N-[(E)-6-ethoxy-6-methyl-hept-2-en-4-ynyl]-N-[2-[2-(3-thiophen-3-ylphenoxy)ethoxy]ethyl]cyclopropanamine

Systemtic Name: N-[(E)-6-ethoxy-6-methyl-hept-2-en-4-ynyl]-N-[2-[2-(3-thiophen-3-ylphenoxy)ethoxy]ethyl]cyclopropanamine Openeye Name: N-[(E)-6-ethoxy-6-methyl-hept-2-en-4-ynyl]-N-[2-[2-[3-(3-thienyl)phenoxy]ethoxy]ethyl]cyclopropanamine CAS Name: N-[(E)-6-ethoxy-6-methylhept-2-en-4-ynyl]-N-[2-[2-[3-(3-thiophenyl)phenoxy]ethoxy]ethyl]cyclopropanamine IUPAC Name: N-[(E)-6-ethoxy-6-methylhept-2-en-4-ynyl]-N-[2-[2-(3-thiophen-3-ylphenoxy)ethoxy]ethyl]cyclopropanamine Traditional Name: cyclopropyl-[(E)-6-ethoxy-6-methyl-hept-2-en-4-ynyl]-[2-[2-[3-(3-thienyl)phenoxy]ethoxy]ethyl]amine Formula: C27H35NO3S MolecularWeight: 453.6367

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C)C#CC=CCN(CCOCCOC1=CC=CC(=C1)C2=CSC=C2)C3CC3

Isomeric SMILES

CCOC(C)(C)C#C/C=C/CN(CCOCCOC1=CC=CC(=C1)C2=CSC=C2)C3CC3

InChI

InChI=1S/C27H35NO3S/c1-4-31-27(2,3)14-6-5-7-15-28(25-11-12-25)16-17-29-18-19-30-26-10-8-9-23(21-26)24-13-20-32-22-24/h5,7-10,13,20-22,25H,4,11-12,15-19H2,1-3H3/b7-5+