2-ethylhexyl (E)-3-[4-(dimethylamino)-2-methyl-phenyl]-2-isocyano-prop-2-enoate

Systemtic Name: 2-ethylhexyl (E)-3-[4-(dimethylamino)-2-methyl-phenyl]-2-isocyano-prop-2-enoate Openeye Name: 2-ethylhexyl (E)-3-[4-(dimethylamino)-2-methyl-phenyl]-2-isocyano-prop-2-enoate CAS Name: (E)-3-[4-(dimethylamino)-2-methylphenyl]-2-isocyano-2-propenoic acid 2-ethylhexyl ester IUPAC Name: 2-ethylhexyl (E)-3-[4-(dimethylamino)-2-methylphenyl]-2-isocyanoprop-2-enoate Traditional Name: (E)-3-[4-(dimethylamino)-2-methyl-phenyl]-2-isocyano-acrylic acid 2-ethylhexyl ester Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2/c1-7-9-10-17(8-2)15-25-21(24)20(22-4)14-18-11-12-19(23(5)6)13-16(18)3/h11-14,17H,7-10,15H2,1-3,5-6H3/b20-14+