[[(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]prop-2-enoyl]-methyl-amino] ethanoate

Systemtic Name: [[(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]prop-2-enoyl]-methyl-amino] ethanoate Openeye Name: [[(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]prop-2-enoyl]-methyl-amino] acetate CAS Name: acetic acid [[(E)-3-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]-1-oxoprop-2-enyl]-methylamino] ester IUPAC Name: [[(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]prop-2-enoyl]-methylamino] acetate Traditional Name: acetic acid [[(E)-3-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acryloyl]-methyl-amino] ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C=CC(=O)N(C)OC(=O)C)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)/C=C/C(=O)N(C)OC(=O)C)C

InChI

InChI=1S/C18H20N2O3/c1-13-5-6-14(2)20(13)17-10-7-16(8-11-17)9-12-18(22)19(4)23-15(3)21/h5-12H,1-4H3/b12-9+