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

Systemtic Name: ethyl 4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]carbonylamino]benzenecarboximidate Openeye Name: ethyl 4-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]benzenecarboximidate CAS Name: 4-[[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepin-4-yl]-oxomethyl]amino]benzenecarboximidic acid ethyl ester IUPAC Name: ethyl 4-[[7-(4-methylphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]benzenecarboximidate Traditional Name: 4-[[7-(p-tolyl)-2,3-dihydro-1-benzoxepin-4-carbonyl]amino]benzenecarboximidic acid ethyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O3/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)