ethyl 3-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-1-pentyl-indol-3-yl]propanoate

Systemtic Name: ethyl 3-[3-(1H-indol-2-ylcarbonylamino)-2-oxidanylidene-1-pentyl-indol-3-yl]propanoate Openeye Name: ethyl 3-[3-(1H-indole-2-carbonylamino)-2-oxo-1-pentyl-indolin-3-yl]propanoate CAS Name: 3-[3-[[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-1-pentyl-3-indolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-(1H-indole-2-carbonylamino)-2-oxo-1-pentylindol-3-yl]propanoate Traditional Name: 3-[1-amyl-3-(1H-indole-2-carbonylamino)-2-keto-indolin-3-yl]propionic acid ethyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)OCC)NC(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)OCC)NC(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C27H31N3O4/c1-3-5-10-17-30-23-14-9-7-12-20(23)27(26(30)33,16-15-24(31)34-4-2)29-25(32)22-18-19-11-6-8-13-21(19)28-22/h6-9,11-14,18,28H,3-5,10,15-17H2,1-2H3,(H,29,32)