ditert-butyl 2-[2-[(3-methylphenyl)carbamoylamino]ethanoyl-phenyl-amino]propanedioate

Systemtic Name: ditert-butyl 2-[2-[(3-methylphenyl)carbamoylamino]ethanoyl-phenyl-amino]propanedioate Openeye Name: ditert-butyl 2-(N-[2-(m-tolylcarbamoylamino)acetyl]anilino)propanedioate CAS Name: 2-(N-[2-[[(3-methylanilino)-oxomethyl]amino]-1-oxoethyl]anilino)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanedioate Traditional Name: 2-(N-[2-(m-tolylcarbamoylamino)acetyl]anilino)malonic acid ditert-butyl ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O6/c1-18-12-11-13-19(16-18)29-25(34)28-17-21(31)30(20-14-9-8-10-15-20)22(23(32)35-26(2,3)4)24(33)36-27(5,6)7/h8-16,22H,17H2,1-7H3,(H2,28,29,34)