tert-butyl 2-[(2-bromophenyl)-[2-[(3-methylphenyl)carbamoylamino]ethanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[(2-bromophenyl)-[2-[(3-methylphenyl)carbamoylamino]ethanoyl]amino]ethanoate Openeye Name: tert-butyl 2-(2-bromo-N-[2-(m-tolylcarbamoylamino)acetyl]anilino)acetate CAS Name: 2-(2-bromo-N-[2-[[(3-methylanilino)-oxomethyl]amino]-1-oxoethyl]anilino)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-bromo-N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetate Traditional Name: 2-(2-bromo-N-[2-(m-tolylcarbamoylamino)acetyl]anilino)acetic acid tert-butyl ester Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NCC(=O)N(CC(=O)OC(C)(C)C)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC(=O)N(CC(=O)OC(C)(C)C)C2=CC=CC=C2Br

InChI

InChI=1S/C22H26BrN3O4/c1-15-8-7-9-16(12-15)25-21(29)24-13-19(27)26(14-20(28)30-22(2,3)4)18-11-6-5-10-17(18)23/h5-12H,13-14H2,1-4H3,(H2,24,25,29)