[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromen-7-yl] (2R)-2-azanyl-4-methyl-pentanoate

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromen-7-yl] (2R)-2-azanyl-4-methyl-pentanoate Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-chromen-7-yl] (2R)-2-amino-4-methyl-pentanoate CAS Name: (2R)-2-amino-4-methylpentanoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] (2R)-2-amino-4-methylpentanoate Traditional Name: (2R)-2-amino-4-methyl-valeric acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-chromen-7-yl] ester Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)N

Isomeric SMILES

CC(C)C[C@H](C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)N

InChI

InChI=1S/C23H23NO6/c1-13(2)9-18(24)23(26)30-15-4-5-16-20(11-15)29-12-17(22(16)25)14-3-6-19-21(10-14)28-8-7-27-19/h3-6,10-13,18H,7-9,24H2,1-2H3/t18-/m1/s1