butyl 4-[3-[(phenylmethyl)carbamoylamino]propanoylamino]benzoate

Systemtic Name: butyl 4-[3-[(phenylmethyl)carbamoylamino]propanoylamino]benzoate Openeye Name: butyl 4-[3-(benzylcarbamoylamino)propanoylamino]benzoate CAS Name: 4-[[1-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]amino]propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(benzylcarbamoylamino)propanoylamino]benzoate Traditional Name: 4-[3-(benzylcarbamoylamino)propanoylamino]benzoic acid butyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCNC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O4/c1-2-3-15-29-21(27)18-9-11-19(12-10-18)25-20(26)13-14-23-22(28)24-16-17-7-5-4-6-8-17/h4-12H,2-3,13-16H2,1H3,(H,25,26)(H2,23,24,28)