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

Systemtic Name: 3-[4-[3-(3-butyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxidanylidene-imidazolidin-1-yl]phenyl]propanoic acid hydrochloride Openeye Name: 3-[4-[3-(3-butyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-imidazolidin-1-yl]phenyl]propanoic acid hydrochloride CAS Name: 3-[4-[3-(3-butyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1-imidazolidinyl]phenyl]propanoic acid hydrochloride IUPAC Name: 3-[4-[3-(3-butyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxoimidazolidin-1-yl]phenyl]propanoic acid hydrochloride Traditional Name: 3-[4-[3-(3-butyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-keto-imidazolidin-1-yl]phenyl]propionic acid hydrochloride Formula: C26H34ClN3O3 MolecularWeight: 472.01946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC2=C(CC1)C=C(C=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O.Cl

Isomeric SMILES

CCCCN1CCC2=C(CC1)C=C(C=C2)N3CCN(C3=O)C4=CC=C(C=C4)CCC(=O)O.Cl

InChI

InChI=1S/C26H33N3O3.ClH/c1-2-3-14-27-15-12-21-7-10-24(19-22(21)13-16-27)29-18-17-28(26(29)32)23-8-4-20(5-9-23)6-11-25(30)31;/h4-5,7-10,19H,2-3,6,11-18H2,1H3,(H,30,31);1H