methyl 4-[[[3-(aminocarbonylamino)-3-(2-methylphenyl)propanoyl]-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[[3-(aminocarbonylamino)-3-(2-methylphenyl)propanoyl]-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[3-(o-tolyl)-3-ureido-propanoyl]amino]methyl]benzoate CAS Name: 4-[[[3-(carbamoylamino)-3-(2-methylphenyl)-1-oxopropyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3-(carbamoylamino)-3-(2-methylphenyl)propanoyl]-methylamino]methyl]benzoate Traditional Name: 4-[[methyl-[3-(o-tolyl)-3-ureido-propanoyl]amino]methyl]benzoic acid methyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N(C)CC2=CC=C(C=C2)C(=O)OC)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)N(C)CC2=CC=C(C=C2)C(=O)OC)NC(=O)N

InChI

InChI=1S/C21H25N3O4/c1-14-6-4-5-7-17(14)18(23-21(22)27)12-19(25)24(2)13-15-8-10-16(11-9-15)20(26)28-3/h4-11,18H,12-13H2,1-3H3,(H3,22,23,27)