tert-butyl 2-[(4-dimethylaminophenyl)-[2-(1-formamidoimidazol-2-yl)ethanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[(4-dimethylaminophenyl)-[2-(1-formamidoimidazol-2-yl)ethanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[4-(dimethylamino)-N-[2-(1-formamidoimidazol-2-yl)acetyl]anilino]acetate CAS Name: 2-[4-(dimethylamino)-N-[2-(1-formamido-2-imidazolyl)-1-oxoethyl]anilino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(dimethylamino)-N-[2-(1-formamidoimidazol-2-yl)acetyl]anilino]acetate Traditional Name: 2-[4-(dimethylamino)-N-[2-(1-formamidoimidazol-2-yl)acetyl]anilino]acetic acid tert-butyl ester Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C1=CC=C(C=C1)N(C)C)C(=O)CC2=NC=CN2NC=O

Isomeric SMILES

CC(C)(C)OC(=O)CN(C1=CC=C(C=C1)N(C)C)C(=O)CC2=NC=CN2NC=O

InChI

InChI=1S/C20H27N5O4/c1-20(2,3)29-19(28)13-24(16-8-6-15(7-9-16)23(4)5)18(27)12-17-21-10-11-25(17)22-14-26/h6-11,14H,12-13H2,1-5H3,(H,22,26)