methyl 4-methyl-2-[(4-methylphenyl)-[N'-(4-methylphenyl)carbamimidoyl]amino]pentanoate

Systemtic Name: methyl 4-methyl-2-[(4-methylphenyl)-[N'-(4-methylphenyl)carbamimidoyl]amino]pentanoate Openeye Name: methyl 4-methyl-2-(4-methyl-N-[N'-(p-tolyl)carbamimidoyl]anilino)pentanoate CAS Name: 2-(N-[amino-(4-methylphenyl)iminomethyl]-4-methylanilino)-4-methylpentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-(4-methyl-N-[N'-(4-methylphenyl)carbamimidoyl]anilino)pentanoate Traditional Name: 4-methyl-2-(4-methyl-N-[N'-(p-tolyl)amidino]anilino)valeric acid methyl ester Formula: C22H29N3O2 MolecularWeight: 367.48456

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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)C(CC(C)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2/c1-15(2)14-20(21(26)27-5)25(19-12-8-17(4)9-13-19)22(23)24-18-10-6-16(3)7-11-18/h6-13,15,20H,14H2,1-5H3,(H2,23,24)