methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(1-piperidin-1-ylethylideneamino)phenyl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(1-piperidin-1-ylethylideneamino)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-[1-(1-piperidyl)ethylideneamino]benzoyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[oxo-[2-[1-(1-piperidinyl)ethylideneamino]phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(1-piperidin-1-ylethylideneamino)benzoyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[2-(1-piperidinoethylideneamino)benzoyl]amino]propionic acid methyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NC1=CC=CC=C1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC)N4CCCCC4

Isomeric SMILES

CC(=NC1=CC=CC=C1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)OC)N4CCCCC4

InChI

InChI=1S/C26H30N4O3/c1-18(30-14-8-3-9-15-30)28-23-13-7-5-11-21(23)25(31)29-24(26(32)33-2)16-19-17-27-22-12-6-4-10-20(19)22/h4-7,10-13,17,24,27H,3,8-9,14-16H2,1-2H3,(H,29,31)/t24-/m0/s1