methyl 4-methyl-3-[2-[(2S)-2-(phenylcarbamoylamino)propanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(2S)-2-(phenylcarbamoylamino)propanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(2S)-2-(phenylcarbamoylamino)propanoyl]oxyacetyl]amino]benzoate CAS Name: 3-[[2-[(2S)-2-[[anilino(oxo)methyl]amino]-1-oxopropoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(2S)-2-(phenylcarbamoylamino)propanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(2S)-2-(phenylcarbamoylamino)propanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C(C)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)[C@H](C)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c1-13-9-10-15(20(27)29-3)11-17(13)24-18(25)12-30-19(26)14(2)22-21(28)23-16-7-5-4-6-8-16/h4-11,14H,12H2,1-3H3,(H,24,25)(H2,22,23,28)/t14-/m0/s1