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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC(CO)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)N[C@@H](CO)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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