3-(5-cyano-1-ethanoyl-indol-3-yl)-2-(methoxycarbonylamino)propanoic acid

Systemtic Name: 3-(5-cyano-1-ethanoyl-indol-3-yl)-2-(methoxycarbonylamino)propanoic acid Openeye Name: 3-(1-acetyl-5-cyano-indol-3-yl)-2-(methoxycarbonylamino)propanoic acid CAS Name: 3-(1-acetyl-5-cyano-3-indolyl)-2-(methoxycarbonylamino)propanoic acid IUPAC Name: 3-(1-acetyl-5-cyanoindol-3-yl)-2-(methoxycarbonylamino)propanoic acid Traditional Name: 3-(1-acetyl-5-cyano-indol-3-yl)-2-(carbomethoxyamino)propionic acid Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=C(C2=C1C=CC(=C2)C#N)CC(C(=O)O)NC(=O)OC

Isomeric SMILES

CC(=O)N1C=C(C2=C1C=CC(=C2)C#N)CC(C(=O)O)NC(=O)OC

InChI

InChI=1S/C16H15N3O5/c1-9(20)19-8-11(6-13(15(21)22)18-16(23)24-2)12-5-10(7-17)3-4-14(12)19/h3-5,8,13H,6H2,1-2H3,(H,18,23)(H,21,22)