ethyl 4-[(4-ethoxycarbonylphenyl)-(C-phenylcarbonimidoyl)amino]benzoate hydrochloride

Systemtic Name: ethyl 4-[(4-ethoxycarbonylphenyl)-(C-phenylcarbonimidoyl)amino]benzoate hydrochloride Openeye Name: ethyl 4-[N-(benzenecarboximidoyl)-4-ethoxycarbonyl-anilino]benzoate hydrochloride CAS Name: 4-(4-ethoxycarbonyl-N-[imino(phenyl)methyl]anilino)benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[N-(benzenecarboximidoyl)-4-ethoxycarbonylanilino]benzoate hydrochloride Traditional Name: 4-(N-benzimidoyl-4-carbethoxy-anilino)benzoic acid ethyl ester hydrochloride Formula: C25H25ClN2O4 MolecularWeight: 452.93

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(=O)OCC)C(=N)C3=CC=CC=C3.Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(C2=CC=C(C=C2)C(=O)OCC)C(=N)C3=CC=CC=C3.Cl

InChI

InChI=1S/C25H24N2O4.ClH/c1-3-30-24(28)19-10-14-21(15-11-19)27(23(26)18-8-6-5-7-9-18)22-16-12-20(13-17-22)25(29)31-4-2;/h5-17,26H,3-4H2,1-2H3;1H