diethyl (2S)-2-[(E)-3-[5-(hydroxymethyl)-1-methyl-imidazol-2-yl]prop-2-enyl]butanedioate

Systemtic Name: diethyl (2S)-2-[(E)-3-[5-(hydroxymethyl)-1-methyl-imidazol-2-yl]prop-2-enyl]butanedioate Openeye Name: diethyl (2S)-2-[(E)-3-[5-(hydroxymethyl)-1-methyl-imidazol-2-yl]allyl]butanedioate CAS Name: (2S)-2-[(E)-3-[5-(hydroxymethyl)-1-methyl-2-imidazolyl]prop-2-enyl]butanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[(E)-3-[5-(hydroxymethyl)-1-methylimidazol-2-yl]prop-2-enyl]butanedioate Traditional Name: (2S)-2-[(E)-3-(1-methyl-5-methylol-imidazol-2-yl)allyl]succinic acid diethyl ester Formula: C16H24N2O5 MolecularWeight: 324.37216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC=CC1=NC=C(N1C)CO)C(=O)OCC

Isomeric SMILES

CCOC(=O)C[C@H](C/C=C/C1=NC=C(N1C)CO)C(=O)OCC

InChI

InChI=1S/C16H24N2O5/c1-4-22-15(20)9-12(16(21)23-5-2)7-6-8-14-17-10-13(11-19)18(14)3/h6,8,10,12,19H,4-5,7,9,11H2,1-3H3/b8-6+/t12-/m0/s1