8-(4-phenylmethoxyphenoxy)octyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: 8-(4-phenylmethoxyphenoxy)octyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: 8-(4-benzyloxyphenoxy)octyl (2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid 8-(4-phenylmethoxyphenoxy)octyl ester IUPAC Name: 8-(4-phenylmethoxyphenoxy)octyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propionic acid 8-(4-benzoxyphenoxy)octyl ester Formula: C37H46N2O6 MolecularWeight: 614.77094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCCCCCCCCOC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C37H46N2O6/c1-37(2,3)45-36(41)39-34(25-29-26-38-33-18-12-11-17-32(29)33)35(40)43-24-14-7-5-4-6-13-23-42-30-19-21-31(22-20-30)44-27-28-15-9-8-10-16-28/h8-12,15-22,26,34,38H,4-7,13-14,23-25,27H2,1-3H3,(H,39,41)/t34-/m0/s1