methyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxidanylidene-pent-4-enyl]amino]-3-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxidanylidene-pent-4-enyl]amino]-3-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(E)-5-(2-furyl)-3-oxo-pent-4-enyl]amino]-3-methyl-pentanoate CAS Name: (2S)-2-[[(E)-5-(2-furanyl)-3-oxopent-4-enyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]-3-methylpentanoate Traditional Name: (2S)-2-[[(E)-5-(2-furyl)-3-keto-pent-4-enyl]amino]-3-methyl-valeric acid methyl ester Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NCCC(=O)C=CC1=CC=CO1

Isomeric SMILES

CCC(C)[C@@H](C(=O)OC)NCCC(=O)/C=C/C1=CC=CO1

InChI

InChI=1S/C16H23NO4/c1-4-12(2)15(16(19)20-3)17-10-9-13(18)7-8-14-6-5-11-21-14/h5-8,11-12,15,17H,4,9-10H2,1-3H3/b8-7+/t12?,15-/m0/s1