methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-hexanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-hexanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-hexanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxohexyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxyhexanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-hexanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)O

Isomeric SMILES

CCCC(C(C1=CC2=C(C=C1)OCO2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)O

InChI

InChI=1S/C25H28N2O6/c1-3-6-20(28)23(15-9-10-21-22(12-15)33-14-32-21)24(29)27-19(25(30)31-2)11-16-13-26-18-8-5-4-7-17(16)18/h4-5,7-10,12-13,19-20,23,26,28H,3,6,11,14H2,1-2H3,(H,27,29)