methyl (E)-3-[4-[ethyl-(phenylmethyl)amino]-2-methyl-phenyl]-2-isocyano-prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[ethyl-(phenylmethyl)amino]-2-methyl-phenyl]-2-isocyano-prop-2-enoate Openeye Name: methyl (E)-3-[4-[benzyl(ethyl)amino]-2-methyl-phenyl]-2-isocyano-prop-2-enoate CAS Name: (E)-3-[4-[ethyl-(phenylmethyl)amino]-2-methylphenyl]-2-isocyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[benzyl(ethyl)amino]-2-methylphenyl]-2-isocyanoprop-2-enoate Traditional Name: (E)-3-[4-[benzyl(ethyl)amino]-2-methyl-phenyl]-2-isocyano-acrylic acid methyl ester Formula: C21H22N2O2 MolecularWeight: 334.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)C=C(C(=O)OC)[N+]#[C-])C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)/C=C(\C(=O)OC)/[N+]#[C-])C

InChI

InChI=1S/C21H22N2O2/c1-5-23(15-17-9-7-6-8-10-17)19-12-11-18(16(2)13-19)14-20(22-3)21(24)25-4/h6-14H,5,15H2,1-2,4H3/b20-14+