ethyl 4-[[(2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-[(4-ethoxyphenyl)carbonylamino]-3-methyl-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[(4-ethoxyphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methylbutanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[(4-ethoxybenzoyl)amino]-3-methyl-butanoyl]amino]benzoic acid ethyl ester Formula: C23H28N2O5 MolecularWeight: 412.47882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C23H28N2O5/c1-5-29-19-13-9-16(10-14-19)21(26)25-20(15(3)4)22(27)24-18-11-7-17(8-12-18)23(28)30-6-2/h7-15,20H,5-6H2,1-4H3,(H,24,27)(H,25,26)/t20-/m0/s1