(phenylmethyl) 2-(1-adamantylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate

Systemtic Name: (phenylmethyl) 2-(1-adamantylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: benzyl 2-(1-adamantylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[1-adamantylmethoxy(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(1-adamantylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(1-adamantylmethoxycarbonylamino)-3-(1H-indol-3-yl)propionic acid benzyl ester Formula: C30H34N2O4 MolecularWeight: 486.60196

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)COC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)COC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C30H34N2O4/c33-28(35-18-20-6-2-1-3-7-20)27(13-24-17-31-26-9-5-4-8-25(24)26)32-29(34)36-19-30-14-21-10-22(15-30)12-23(11-21)16-30/h1-9,17,21-23,27,31H,10-16,18-19H2,(H,32,34)