methyl (E)-3-[4-(butanoylamino)-1-methyl-pyrrol-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-(butanoylamino)-1-methyl-pyrrol-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[4-(butanoylamino)-1-methyl-pyrrol-2-yl]prop-2-enoate CAS Name: (E)-3-[1-methyl-4-(1-oxobutylamino)-2-pyrrolyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-(butanoylamino)-1-methylpyrrol-2-yl]prop-2-enoate Traditional Name: (E)-3-(4-butyramido-1-methyl-pyrrol-2-yl)acrylic acid methyl ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CN(C(=C1)C=CC(=O)OC)C

Isomeric SMILES

CCCC(=O)NC1=CN(C(=C1)/C=C/C(=O)OC)C

InChI

InChI=1S/C13H18N2O3/c1-4-5-12(16)14-10-8-11(15(2)9-10)6-7-13(17)18-3/h6-9H,4-5H2,1-3H3,(H,14,16)/b7-6+