(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-oxidanyl-propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]-3-oxidanyl-propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanamide Traditional Name: (2S)-3-hydroxy-2-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]-N-piperonyl-propionamide Formula: C23H22N2O8 MolecularWeight: 454.42938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)NC(CO)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N[C@@H](CO)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O8/c1-13-6-22(28)33-19-8-15(3-4-16(13)19)30-11-21(27)25-17(10-26)23(29)24-9-14-2-5-18-20(7-14)32-12-31-18/h2-8,17,26H,9-12H2,1H3,(H,24,29)(H,25,27)/t17-/m0/s1