methyl 2-[2-[3-[(4-tert-butylphenyl)carbonylamino]propanoyl-methyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-[(4-tert-butylphenyl)carbonylamino]propanoyl-methyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-[(4-tert-butylbenzoyl)amino]propanoyl-methyl-amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxopropyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-[(4-tert-butylbenzoyl)amino]propanoyl-methylamino]acetyl]amino]benzoate Traditional Name: 2-[[2-[3-[(4-tert-butylbenzoyl)amino]propanoyl-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C25H31N3O5 MolecularWeight: 453.53074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N(C)CC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C25H31N3O5/c1-25(2,3)18-12-10-17(11-13-18)23(31)26-15-14-22(30)28(4)16-21(29)27-20-9-7-6-8-19(20)24(32)33-5/h6-13H,14-16H2,1-5H3,(H,26,31)(H,27,29)