4-[[(4R)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(4R)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(4R)-3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(4R)-3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(4R)-3-methyl-4,5,6,7-tetrahydro-1-benzofuran-4-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(4R)-3-methyl-4,5,6,7-tetrahydrobenzofuran-4-yl]amino]butyrate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=C1C(CCC2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=COC2=C1[C@@H](CCC2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-8-7-18-10-4-2-3-9(13(8)10)14-11(15)5-6-12(16)17/h7,9H,2-6H2,1H3,(H,14,15)(H,16,17)/p-1/t9-/m1/s1