methyl 4-[[[3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]methyl]benzoate CAS Name: 4-[[[3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]methyl]benzoate Traditional Name: 4-[[[3-methyl-2-(o-toluoylamino)butanoyl]amino]methyl]benzoic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H26N2O4/c1-14(2)19(24-20(25)18-8-6-5-7-15(18)3)21(26)23-13-16-9-11-17(12-10-16)22(27)28-4/h5-12,14,19H,13H2,1-4H3,(H,23,26)(H,24,25)