2-ethylhexyl (E)-2-isocyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Systemtic Name: 2-ethylhexyl (E)-2-isocyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Openeye Name: 2-ethylhexyl (E)-2-isocyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-2-isocyano-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (E)-2-isocyano-3-(3,4,5-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-isocyano-3-(3,4,5-trimethoxyphenyl)acrylic acid 2-ethylhexyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-7-9-10-15(8-2)14-27-21(23)17(22-3)11-16-12-18(24-4)20(26-6)19(13-16)25-5/h11-13,15H,7-10,14H2,1-2,4-6H3/b17-11+