2-methyl-6-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-6-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]benzoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-6-methyl-benzoic acid CAS Name: 2-methyl-6-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]benzoic acid IUPAC Name: 2-methyl-6-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]benzoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-6-methyl-benzoic acid Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H24N2O5/c1-13(2)18(23-21(27)28-12-15-9-5-4-6-10-15)19(24)22-16-11-7-8-14(3)17(16)20(25)26/h4-11,13,18H,12H2,1-3H3,(H,22,24)(H,23,27)(H,25,26)