phenacyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-phenylmethoxy-1H-indol-3-yl)propanoate

Systemtic Name: phenacyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-phenylmethoxy-1H-indol-3-yl)propanoate Openeye Name: phenacyl 3-(5-benzyloxy-1H-indol-3-yl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid phenacyl ester IUPAC Name: phenacyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-phenylmethoxy-1H-indol-3-yl)propanoate Traditional Name: 3-(5-benzoxy-1H-indol-3-yl)-2-(tert-butoxycarbonylamino)propionic acid phenacyl ester Formula: C31H32N2O6 MolecularWeight: 528.59558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C31H32N2O6/c1-31(2,3)39-30(36)33-27(29(35)38-20-28(34)22-12-8-5-9-13-22)16-23-18-32-26-15-14-24(17-25(23)26)37-19-21-10-6-4-7-11-21/h4-15,17-18,27,32H,16,19-20H2,1-3H3,(H,33,36)