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

Systemtic Name: 2-[3-[(1-ethoxy-1-oxidanylidene-hexan-2-yl)amino]-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid hydrochloride Openeye Name: 2-[3-(1-ethoxycarbonylpentylamino)-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride CAS Name: 2-[3-[(1-ethoxy-1-oxohexan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride IUPAC Name: 2-[3-[(1-ethoxy-1-oxohexan-2-yl)amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride Traditional Name: 2-[3-(1-carbethoxypentylamino)-2-keto-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid hydrochloride Formula: C20H29ClN2O5 MolecularWeight: 412.90766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5.ClH/c1-3-5-9-16(20(26)27-4-2)21-15-12-11-14-8-6-7-10-17(14)22(19(15)25)13-18(23)24;/h6-8,10,15-16,21H,3-5,9,11-13H2,1-2H3,(H,23,24);1H