3-(1-ethyl-5-phenylmethoxy-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 3-(1-ethyl-5-phenylmethoxy-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 3-(5-benzyloxy-1-ethyl-indol-3-yl)-2-(tert-butoxycarbonylamino)butanoic acid CAS Name: 3-(1-ethyl-5-phenylmethoxy-3-indolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-(1-ethyl-5-phenylmethoxyindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 3-(5-benzoxy-1-ethyl-indol-3-yl)-2-(tert-butoxycarbonylamino)butyric acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C(C)C(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCN1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C(C)C(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C26H32N2O5/c1-6-28-15-21(17(2)23(24(29)30)27-25(31)33-26(3,4)5)20-14-19(12-13-22(20)28)32-16-18-10-8-7-9-11-18/h7-15,17,23H,6,16H2,1-5H3,(H,27,31)(H,29,30)