4-fluoranyl-3-[[methyl-[2-(phenylmethoxycarbonylamino)pentanoyl]amino]methyl]benzoic acid

Systemtic Name: 4-fluoranyl-3-[[methyl-[2-(phenylmethoxycarbonylamino)pentanoyl]amino]methyl]benzoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)pentanoyl-methyl-amino]methyl]-4-fluoro-benzoic acid CAS Name: 4-fluoro-3-[[methyl-[1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]methyl]benzoic acid IUPAC Name: 4-fluoro-3-[[methyl-[2-(phenylmethoxycarbonylamino)pentanoyl]amino]methyl]benzoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)pentanoyl-methyl-amino]methyl]-4-fluoro-benzoic acid Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)N(C)CC1=C(C=CC(=C1)C(=O)O)F)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC(C(=O)N(C)CC1=C(C=CC(=C1)C(=O)O)F)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25FN2O5/c1-3-7-19(24-22(29)30-14-15-8-5-4-6-9-15)20(26)25(2)13-17-12-16(21(27)28)10-11-18(17)23/h4-6,8-12,19H,3,7,13-14H2,1-2H3,(H,24,29)(H,27,28)