ethyl 4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]benzenecarboximidate hydrochloride

Systemtic Name: ethyl 4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]benzenecarboximidate hydrochloride Openeye Name: ethyl 4-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]benzenecarboximidate hydrochloride CAS Name: 4-[[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]amino]benzenecarboximidic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]benzenecarboximidate hydrochloride Traditional Name: 4-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carbonyl]amino]benzenecarboximidic acid ethyl ester hydrochloride Formula: C27H27ClN2O3 MolecularWeight: 462.96788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=N)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)OCC2.Cl

Isomeric SMILES

CCOC(=N)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)C4=CC=C(C=C4)C)OCC2.Cl

InChI

InChI=1S/C27H26N2O3.ClH/c1-3-31-26(28)20-8-11-24(12-9-20)29-27(30)22-14-15-32-25-13-10-21(16-23(25)17-22)19-6-4-18(2)5-7-19;/h4-13,16-17,28H,3,14-15H2,1-2H3,(H,29,30);1H