tert-butyl 4-acetamido-3-[[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]amino]benzoate

Systemtic Name: tert-butyl 4-acetamido-3-[[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]amino]benzoate Openeye Name: tert-butyl 4-acetamido-3-[[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]amino]benzoate CAS Name: 4-acetamido-3-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetamido-3-[[2-(1-methylpyrrol-2-yl)-2-oxoethyl]amino]benzoate Traditional Name: 4-acetamido-3-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]amino]benzoic acid tert-butyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)OC(C)(C)C)NCC(=O)C2=CC=CN2C

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)OC(C)(C)C)NCC(=O)C2=CC=CN2C

InChI

InChI=1S/C20H25N3O4/c1-13(24)22-15-9-8-14(19(26)27-20(2,3)4)11-16(15)21-12-18(25)17-7-6-10-23(17)5/h6-11,21H,12H2,1-5H3,(H,22,24)