methyl 4-[[2-[3-(phenylcarbamoylamino)propanoyloxy]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[3-(phenylcarbamoylamino)propanoyloxy]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[3-(phenylcarbamoylamino)propanoyloxy]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[3-[[anilino(oxo)methyl]amino]-1-oxopropoxy]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[3-(phenylcarbamoylamino)propanoyloxy]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[3-(phenylcarbamoylamino)propanoyloxy]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H23N3O6/c1-29-20(27)16-9-7-15(8-10-16)13-23-18(25)14-30-19(26)11-12-22-21(28)24-17-5-3-2-4-6-17/h2-10H,11-14H2,1H3,(H,23,25)(H2,22,24,28)