ethyl (E)-3-[4-[(4-dec-1-ynylphenyl)methylamino]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[4-[(4-dec-1-ynylphenyl)methylamino]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[4-[(4-dec-1-ynylphenyl)methylamino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(4-dec-1-ynylphenyl)methylamino]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[4-[(4-dec-1-ynylphenyl)methylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(4-dec-1-ynylbenzyl)amino]phenyl]acrylic acid ethyl ester Formula: C28H35NO2 MolecularWeight: 417.583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CNC2=CC=C(C=C2)C=CC(=O)OCC

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CNC2=CC=C(C=C2)/C=C/C(=O)OCC

InChI

InChI=1S/C28H35NO2/c1-3-5-6-7-8-9-10-11-12-24-13-15-26(16-14-24)23-29-27-20-17-25(18-21-27)19-22-28(30)31-4-2/h13-22,29H,3-10,23H2,1-2H3/b22-19+