butyl 4-[3-chloranyl-2,5-bis(oxidanylidene)-4-[[3-(1-phenylethylcarbamoyl)phenyl]amino]pyrrol-1-yl]benzoate

Systemtic Name: butyl 4-[3-chloranyl-2,5-bis(oxidanylidene)-4-[[3-(1-phenylethylcarbamoyl)phenyl]amino]pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-chloro-2,5-dioxo-4-[3-(1-phenylethylcarbamoyl)anilino]pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-2,5-dioxo-4-[3-[oxo-(1-phenylethylamino)methyl]anilino]-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-chloro-2,5-dioxo-4-[3-(1-phenylethylcarbamoyl)anilino]pyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-2,5-diketo-4-[3-(1-phenylethylcarbamoyl)anilino]-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C30H28ClN3O5 MolecularWeight: 546.01342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC(C)C4=CC=CC=C4

InChI

InChI=1S/C30H28ClN3O5/c1-3-4-17-39-30(38)21-13-15-24(16-14-21)34-28(36)25(31)26(29(34)37)33-23-12-8-11-22(18-23)27(35)32-19(2)20-9-6-5-7-10-20/h5-16,18-19,33H,3-4,17H2,1-2H3,(H,32,35)