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

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-oxidanyl-heptanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-heptanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-1-oxoheptyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxyheptanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-3-hydroxy-heptanoyl]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:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O6/c1-3-4-9-21(29)24(16-10-11-22-23(13-16)34-15-33-22)25(30)28-20(26(31)32-2)12-17-14-27-19-8-6-5-7-18(17)19/h5-8,10-11,13-14,20-21,24,27,29H,3-4,9,12,15H2,1-2H3,(H,28,30)