4-[[(E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzamide

Systemtic Name: 4-[[(E)-3-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzamide Openeye Name: 4-[[(E)-3-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enoyl]amino]benzamide CAS Name: 4-[[(E)-3-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-1-oxoprop-2-enyl]amino]benzamide IUPAC Name: 4-[[(E)-3-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]benzamide Traditional Name: 4-[[(E)-3-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]acryloyl]amino]benzamide Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C=CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)/C=C/C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H21N3O3/c1-14-12-17(15(2)24(14)13-19-4-3-11-27-19)7-10-20(25)23-18-8-5-16(6-9-18)21(22)26/h3-12H,13H2,1-2H3,(H2,22,26)(H,23,25)/b10-7+