3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]-N-(4-ethoxyphenyl)benzamide

Systemtic Name: 3-[[4-chloranyl-2,5-bis(oxidanylidene)-1-phenethyl-pyrrol-3-yl]amino]-N-(4-ethoxyphenyl)benzamide Openeye Name: 3-[(4-chloro-2,5-dioxo-1-phenethyl-pyrrol-3-yl)amino]-N-(4-ethoxyphenyl)benzamide CAS Name: 3-[(4-chloro-2,5-dioxo-1-phenethyl-3-pyrrolyl)amino]-N-(4-ethoxyphenyl)benzamide IUPAC Name: 3-[(4-chloro-2,5-dioxo-1-phenethylpyrrol-3-yl)amino]-N-(4-ethoxyphenyl)benzamide Traditional Name: 3-[(4-chloro-2,5-diketo-1-phenethyl-3-pyrrolin-3-yl)amino]-N-p-phenetyl-benzamide Formula: C27H24ClN3O4 MolecularWeight: 489.95016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CCC4=CC=CC=C4)Cl

InChI

InChI=1S/C27H24ClN3O4/c1-2-35-22-13-11-20(12-14-22)30-25(32)19-9-6-10-21(17-19)29-24-23(28)26(33)31(27(24)34)16-15-18-7-4-3-5-8-18/h3-14,17,29H,2,15-16H2,1H3,(H,30,32)