2-ethylhexyl (E)-3-[4-(3,3-dimethylbutanoylamino)phenyl]-2-isocyano-prop-2-enoate

Systemtic Name: 2-ethylhexyl (E)-3-[4-(3,3-dimethylbutanoylamino)phenyl]-2-isocyano-prop-2-enoate Openeye Name: 2-ethylhexyl (E)-3-[4-(3,3-dimethylbutanoylamino)phenyl]-2-isocyano-prop-2-enoate CAS Name: (E)-3-[4-[(3,3-dimethyl-1-oxobutyl)amino]phenyl]-2-isocyano-2-propenoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (E)-3-[4-(3,3-dimethylbutanoylamino)phenyl]-2-isocyanoprop-2-enoate Traditional Name: (E)-3-[4-(3,3-dimethylbutanoylamino)phenyl]-2-isocyano-acrylic acid 2-ethylhexyl ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O3/c1-7-9-10-18(8-2)17-29-23(28)21(25-6)15-19-11-13-20(14-12-19)26-22(27)16-24(3,4)5/h11-15,18H,7-10,16-17H2,1-5H3,(H,26,27)/b21-15+