(E)-3-[2,4-dimethyl-5-(3-methylbutoxycarbonylamino)-1H-pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2,4-dimethyl-5-(3-methylbutoxycarbonylamino)-1H-pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[5-(isopentyloxycarbonylamino)-2,4-dimethyl-1H-pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[2,4-dimethyl-5-[[3-methylbutoxy(oxo)methyl]amino]-1H-pyrrol-3-yl]-2-propenoic acid IUPAC Name: (E)-3-[2,4-dimethyl-5-(3-methylbutoxycarbonylamino)-1H-pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[5-(isoamoxycarbonylamino)-2,4-dimethyl-1H-pyrrol-3-yl]acrylic acid Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C=CC(=O)O)C)NC(=O)OCCC(C)C

Isomeric SMILES

CC1=C(NC(=C1/C=C/C(=O)O)C)NC(=O)OCCC(C)C

InChI

InChI=1S/C15H22N2O4/c1-9(2)7-8-21-15(20)17-14-10(3)12(11(4)16-14)5-6-13(18)19/h5-6,9,16H,7-8H2,1-4H3,(H,17,20)(H,18,19)/b6-5+