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

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-5-methyl-3-oxidanyl-hexanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-5-methyl-hexanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-5-methyl-1-oxohexyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-5-methylhexanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-5-methyl-hexanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O6/c1-15(2)10-21(29)24(16-8-9-22-23(12-16)34-14-33-22)25(30)28-20(26(31)32-3)11-17-13-27-19-7-5-4-6-18(17)19/h4-9,12-13,15,20-21,24,27,29H,10-11,14H2,1-3H3,(H,28,30)