(4-methoxycarbonylphenyl)-(2-methoxyethanoylamino)-methyl-[(E)-3-phenylprop-2-enoyl]azanium

Systemtic Name: (4-methoxycarbonylphenyl)-(2-methoxyethanoylamino)-methyl-[(E)-3-phenylprop-2-enoyl]azanium Openeye Name: [(2-methoxyacetyl)amino]-(4-methoxycarbonylphenyl)-methyl-[(E)-3-phenylprop-2-enoyl]ammonium CAS Name: (4-methoxycarbonylphenyl)-[(2-methoxy-1-oxoethyl)amino]-methyl-[(E)-1-oxo-3-phenylprop-2-enyl]ammonium IUPAC Name: [(2-methoxyacetyl)amino]-(4-methoxycarbonylphenyl)-methyl-[(E)-3-phenylprop-2-enoyl]azanium Traditional Name: (4-carbomethoxyphenyl)-[(2-methoxyacetyl)amino]-methyl-[(E)-3-phenylacryloyl]ammonium Formula: C21H23N2O5+ MolecularWeight: 383.41772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C1=CC=C(C=C1)C(=O)OC)(C(=O)C=CC2=CC=CC=C2)NC(=O)COC

Isomeric SMILES

C[N+](C1=CC=C(C=C1)C(=O)OC)(C(=O)/C=C/C2=CC=CC=C2)NC(=O)COC

InChI

InChI=1S/C21H22N2O5/c1-23(22-19(24)15-27-2,18-12-10-17(11-13-18)21(26)28-3)20(25)14-9-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3/p+1/b14-9+