2-ethylhexyl (E)-3-(4-dimethylaminophenyl)-2-isocyano-prop-2-enoate

Systemtic Name: 2-ethylhexyl (E)-3-(4-dimethylaminophenyl)-2-isocyano-prop-2-enoate Openeye Name: 2-ethylhexyl (E)-3-(4-dimethylaminophenyl)-2-isocyano-prop-2-enoate CAS Name: (E)-3-(4-dimethylaminophenyl)-2-isocyano-2-propenoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (E)-3-(4-dimethylaminophenyl)-2-isocyanoprop-2-enoate Traditional Name: (E)-3-(4-dimethylaminophenyl)-2-isocyano-acrylic acid 2-ethylhexyl ester Formula: C20H28N2O2 MolecularWeight: 328.44852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C(=CC1=CC=C(C=C1)N(C)C)[N+]#[C-]

Isomeric SMILES

CCCCC(CC)COC(=O)/C(=C\C1=CC=C(C=C1)N(C)C)/[N+]#[C-]

InChI

InChI=1S/C20H28N2O2/c1-6-8-9-16(7-2)15-24-20(23)19(21-3)14-17-10-12-18(13-11-17)22(4)5/h10-14,16H,6-9,15H2,1-2,4-5H3/b19-14+