2-methyl-6-[[methyl-(phenylmethyl)carbamoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

Systemtic Name: 2-methyl-6-[[methyl-(phenylmethyl)carbamoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Openeye Name: 6-[[benzyl(methyl)carbamoyl]amino]-3-(tert-butoxycarbonylamino)-2-methyl-benzoic acid CAS Name: 2-methyl-6-[[[methyl-(phenylmethyl)amino]-oxomethyl]amino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid IUPAC Name: 6-[[benzyl(methyl)carbamoyl]amino]-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid Traditional Name: 6-[[benzyl(methyl)carbamoyl]amino]-3-(tert-butoxycarbonylamino)-2-methyl-benzoic acid Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)O)NC(=O)N(C)CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)O)NC(=O)N(C)CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H27N3O5/c1-14-16(24-21(29)30-22(2,3)4)11-12-17(18(14)19(26)27)23-20(28)25(5)13-15-9-7-6-8-10-15/h6-12H,13H2,1-5H3,(H,23,28)(H,24,29)(H,26,27)