methyl 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-oxidanyl-hexanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-oxidanyl-hexanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxy-hexanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxy-1-oxohexyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxyhexanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-4-ethyl-3-hydroxy-hexanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O6/c1-4-16(5-2)25(30)24(17-10-11-22-23(13-17)35-15-34-22)26(31)29-21(27(32)33-3)12-18-14-28-20-9-7-6-8-19(18)20/h6-11,13-14,16,21,24-25,28,30H,4-5,12,15H2,1-3H3,(H,29,31)