(phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-2-carboxylate

Systemtic Name: (phenylmethyl) 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-2-carboxylate Openeye Name: benzyl 5-(tert-butoxycarbonylamino)-1H-indole-2-carboxylate CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1H-indole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-indole-2-carboxylate Traditional Name: 5-(tert-butoxycarbonylamino)-1H-indole-2-carboxylic acid benzyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-21(2,3)27-20(25)22-16-9-10-17-15(11-16)12-18(23-17)19(24)26-13-14-7-5-4-6-8-14/h4-12,23H,13H2,1-3H3,(H,22,25)