2-[3-[(1-ethoxy-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid hydrochloride

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid hydrochloride Openeye Name: 2-[3-(1-ethoxycarbonylbutylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride CAS Name: 2-[3-[(1-ethoxy-1-oxopentan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride IUPAC Name: 2-[3-[(1-ethoxy-1-oxopentan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride Traditional Name: 2-[3-(1-carbethoxybutylamino)-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride Formula: C19H27ClN2O5 MolecularWeight: 398.88108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC)NC1CCC2=CC=CC=C2N(C1=O)CC(=O)O.Cl

Isomeric SMILES

CCCC(C(=O)OCC)NC1CCC2=CC=CC=C2N(C1=O)CC(=O)O.Cl

InChI

InChI=1S/C19H26N2O5.ClH/c1-3-7-15(19(25)26-4-2)20-14-11-10-13-8-5-6-9-16(13)21(18(14)24)12-17(22)23;/h5-6,8-9,14-15,20H,3-4,7,10-12H2,1-2H3,(H,22,23);1H