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

Systemtic Name: 3-[4-[3-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid Openeye Name: 3-[4-[3-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-imidazolidin-1-yl]phenyl]propanoic acid CAS Name: 3-[4-[3-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid IUPAC Name: 3-[4-[3-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid Traditional Name: 3-[4-[3-(3-ethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-keto-imidazolidin-1-yl]phenyl]propionic acid Formula: C24H29N3O3 MolecularWeight: 407.50536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC2=C(CC1)C=C(C=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O

Isomeric SMILES

CCN1CCC2=C(CC1)C=C(C=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O

InChI

InChI=1S/C24H29N3O3/c1-2-25-13-11-19-6-9-22(17-20(19)12-14-25)27-16-15-26(24(27)30)21-7-3-18(4-8-21)5-10-23(28)29/h3-4,6-9,17H,2,5,10-16H2,1H3,(H,28,29)