N-[3-methyl-1-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)butyl]-2,3-bis(oxidanyl)-3-pyrrolidin-2-yl-propanamide

Systemtic Name: N-[3-methyl-1-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)butyl]-2,3-bis(oxidanyl)-3-pyrrolidin-2-yl-propanamide Openeye Name: 2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-isochroman-3-yl)-3-methyl-butyl]-3-pyrrolidin-2-yl-propanamide CAS Name: 2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-3-methylbutyl]-3-(2-pyrrolidinyl)propanamide IUPAC Name: 2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-pyrrolidin-2-ylpropanamide Traditional Name: 2,3-dihydroxy-N-[1-(8-hydroxy-1-keto-isochroman-3-yl)-3-methyl-butyl]-3-pyrrolidin-2-yl-propionamide Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C3CCCN3)O)O

Isomeric SMILES

CC(C)CC(C1CC2=C(C(=CC=C2)O)C(=O)O1)NC(=O)C(C(C3CCCN3)O)O

InChI

InChI=1S/C21H30N2O6/c1-11(2)9-14(23-20(27)19(26)18(25)13-6-4-8-22-13)16-10-12-5-3-7-15(24)17(12)21(28)29-16/h3,5,7,11,13-14,16,18-19,22,24-26H,4,6,8-10H2,1-2H3,(H,23,27)