[(4-methylphenyl)-[N'-(4-methylphenyl)carbamimidoyl]amino] 4-methylpentanoate

Systemtic Name: [(4-methylphenyl)-[N'-(4-methylphenyl)carbamimidoyl]amino] 4-methylpentanoate Openeye Name: (4-methyl-N-[N'-(p-tolyl)carbamimidoyl]anilino) 4-methylpentanoate CAS Name: 4-methylpentanoic acid (N-[amino-(4-methylphenyl)iminomethyl]-4-methylanilino) ester IUPAC Name: (4-methyl-N-[N'-(4-methylphenyl)carbamimidoyl]anilino) 4-methylpentanoate Traditional Name: 4-methylvaleric acid (4-methyl-N-[N'-(p-tolyl)amidino]anilino) ester Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=C(N)N(C2=CC=C(C=C2)C)OC(=O)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)N=C(N)N(C2=CC=C(C=C2)C)OC(=O)CCC(C)C

InChI

InChI=1S/C21H27N3O2/c1-15(2)5-14-20(25)26-24(19-12-8-17(4)9-13-19)21(22)23-18-10-6-16(3)7-11-18/h6-13,15H,5,14H2,1-4H3,(H2,22,23)