[1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2S)-2-[(2-ethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-ethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-ethoxybenzoyl)amino]-3-methyl-butyric acid [2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl] ester Formula: C25H32N2O5 MolecularWeight: 440.53198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OC(C)C(=O)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C25H32N2O5/c1-6-31-21-10-8-7-9-20(21)24(29)27-22(16(2)3)25(30)32-18(5)23(28)26-15-19-13-11-17(4)12-14-19/h7-14,16,18,22H,6,15H2,1-5H3,(H,26,28)(H,27,29)/t18?,22-/m0/s1