cyclohexyl 3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoate hydrochloride

Systemtic Name: cyclohexyl 3-[4-[2-oxidanylidene-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoate hydrochloride Openeye Name: cyclohexyl 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoate hydrochloride CAS Name: 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1-imidazolidinyl]phenyl]propanoic acid cyclohexyl ester hydrochloride IUPAC Name: cyclohexyl 3-[4-[2-oxo-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propanoate hydrochloride Traditional Name: 3-[4-[2-keto-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-1-yl]phenyl]propionic acid cyclohexyl ester hydrochloride Formula: C28H36ClN3O3 MolecularWeight: 498.05674

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CCC2=CC=C(C=C2)N3CCN(C3=O)C4=CC5=C(CCNCC5)C=C4.Cl

Isomeric SMILES

C1CCC(CC1)OC(=O)CCC2=CC=C(C=C2)N3CCN(C3=O)C4=CC5=C(CCNCC5)C=C4.Cl

InChI

InChI=1S/C28H35N3O3.ClH/c32-27(34-26-4-2-1-3-5-26)13-8-21-6-10-24(11-7-21)30-18-19-31(28(30)33)25-12-9-22-14-16-29-17-15-23(22)20-25;/h6-7,9-12,20,26,29H,1-5,8,13-19H2;1H