3-[8-(5-azanylpent-1-ynyl)-1-oxidanylidene-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid

Systemtic Name: 3-[8-(5-azanylpent-1-ynyl)-1-oxidanylidene-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid Openeye Name: 3-[8-(5-aminopent-1-ynyl)-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid CAS Name: 3-[8-(5-aminopent-1-ynyl)-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid IUPAC Name: 3-[8-(5-aminopent-1-ynyl)-1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl]propanoic acid Traditional Name: 3-[8-(5-aminopent-1-ynyl)-1-keto-4,5-dihydro-3H-2-benzazepin-2-yl]propionic acid Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)C#CCCCN)C(=O)N(C1)CCC(=O)O

Isomeric SMILES

C1CC2=C(C=C(C=C2)C#CCCCN)C(=O)N(C1)CCC(=O)O

InChI

InChI=1S/C18H22N2O3/c19-10-3-1-2-5-14-7-8-15-6-4-11-20(12-9-17(21)22)18(23)16(15)13-14/h7-8,13H,1,3-4,6,9-12,19H2,(H,21,22)