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

Systemtic Name: tert-butyl 2-[2-[(3-methylphenyl)carbamoylamino]ethanoyl-(2-phenylazanylphenyl)amino]ethanoate Openeye Name: tert-butyl 2-(2-anilino-N-[2-(m-tolylcarbamoylamino)acetyl]anilino)acetate CAS Name: 2-(2-anilino-N-[2-[[(3-methylanilino)-oxomethyl]amino]-1-oxoethyl]anilino)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-anilino-N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetate Traditional Name: 2-(2-anilino-N-[2-(m-tolylcarbamoylamino)acetyl]anilino)acetic acid tert-butyl ester Formula: C28H32N4O4 MolecularWeight: 488.57808

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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=C2NC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NCC(=O)N(CC(=O)OC(C)(C)C)C2=CC=CC=C2NC3=CC=CC=C3

InChI

InChI=1S/C28H32N4O4/c1-20-11-10-14-22(17-20)31-27(35)29-18-25(33)32(19-26(34)36-28(2,3)4)24-16-9-8-15-23(24)30-21-12-6-5-7-13-21/h5-17,30H,18-19H2,1-4H3,(H2,29,31,35)