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

Systemtic Name: 4-[2-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxidanylidene-imidazolidin-1-yl]ethyl]benzoic acid Openeye Name: 4-[2-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-imidazolidin-1-yl]ethyl]benzoic acid CAS Name: 4-[2-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1-imidazolidinyl]ethyl]benzoic acid IUPAC Name: 4-[2-[3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]ethyl]benzoic acid Traditional Name: 4-[2-[2-keto-3-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)imidazolidin-1-yl]ethyl]benzoic acid Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(CC1)C=C(C=C2)N3CCN(C3=O)CCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1CCC2=C(CC1)C=C(C=C2)N3CCN(C3=O)CCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C23H27N3O3/c1-24-11-9-18-6-7-21(16-20(18)10-12-24)26-15-14-25(23(26)29)13-8-17-2-4-19(5-3-17)22(27)28/h2-7,16H,8-15H2,1H3,(H,27,28)