ethyl 5-[[(2S)-2-[3-(5-cyano-1H-indol-3-yl)propylamino]propanoyl]amino]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 5-[[(2S)-2-[3-(5-cyano-1H-indol-3-yl)propylamino]propanoyl]amino]-1-benzofuran-2-carboxylate Openeye Name: ethyl 5-[[(2S)-2-[3-(5-cyano-1H-indol-3-yl)propylamino]propanoyl]amino]benzofuran-2-carboxylate CAS Name: 5-[[(2S)-2-[3-(5-cyano-1H-indol-3-yl)propylamino]-1-oxopropyl]amino]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[(2S)-2-[3-(5-cyano-1H-indol-3-yl)propylamino]propanoyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 5-[[(2S)-2-[3-(5-cyano-1H-indol-3-yl)propylamino]propanoyl]amino]coumarilic acid ethyl ester Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)NC(=O)C(C)NCCCC3=CNC4=C3C=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)C1=CC2=C(O1)C=CC(=C2)NC(=O)[C@H](C)NCCCC3=CNC4=C3C=C(C=C4)C#N

InChI

InChI=1S/C26H26N4O4/c1-3-33-26(32)24-13-19-12-20(7-9-23(19)34-24)30-25(31)16(2)28-10-4-5-18-15-29-22-8-6-17(14-27)11-21(18)22/h6-9,11-13,15-16,28-29H,3-5,10H2,1-2H3,(H,30,31)/t16-/m0/s1