3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[2-keto-3-(2,3,4,5-tetrahydro-1H-2-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propionic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(CNC1)C=CC(=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

C1CC2=C(CNC1)C=CC(=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C22H25N3O3/c26-21(27)10-5-16-3-7-19(8-4-16)24-12-13-25(22(24)28)20-9-6-18-15-23-11-1-2-17(18)14-20/h3-4,6-9,14,23H,1-2,5,10-13,15H2,(H,26,27)