(3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: (3,5-dimethylphenyl)methyl 2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propionic acid (3,5-dimethylbenzyl) ester Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H30N2O4/c1-16-10-17(2)12-18(11-16)15-30-23(28)22(27-24(29)31-25(3,4)5)13-19-14-26-21-9-7-6-8-20(19)21/h6-12,14,22,26H,13,15H2,1-5H3,(H,27,29)