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

Systemtic Name: tert-butyl 2-[(3-chlorophenyl)-[2-[(3-methylphenyl)carbamoylamino]ethanoyl]amino]ethanoate Openeye Name: tert-butyl 2-(3-chloro-N-[2-(m-tolylcarbamoylamino)acetyl]anilino)acetate CAS Name: 2-(3-chloro-N-[2-[[(3-methylanilino)-oxomethyl]amino]-1-oxoethyl]anilino)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-chloro-N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetate Traditional Name: 2-(3-chloro-N-[2-(m-tolylcarbamoylamino)acetyl]anilino)acetic acid tert-butyl ester Formula: C22H26ClN3O4 MolecularWeight: 431.91254

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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=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O4/c1-15-7-5-9-17(11-15)25-21(29)24-13-19(27)26(14-20(28)30-22(2,3)4)18-10-6-8-16(23)12-18/h5-12H,13-14H2,1-4H3,(H2,24,25,29)