2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenanthren-9-yl-propanoic acid

Systemtic Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenanthren-9-yl-propanoic acid Openeye Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(9-phenanthryl)propanoic acid CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-(9-phenanthrenyl)propanoic acid IUPAC Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenanthren-9-ylpropanoic acid Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(9-phenanthryl)propionic acid Formula: C29H31NO4 MolecularWeight: 457.56074

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=CC=CC=C2C3=CC=CC=C31)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(CC1=CC2=CC=CC=C2C3=CC=CC=C31)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C29H31NO4/c1-29(27(31)32,30-28(33)34-26-20-11-17-10-18(13-20)14-21(26)12-17)16-22-15-19-6-2-3-7-23(19)25-9-5-4-8-24(22)25/h2-9,15,17-18,20-21,26H,10-14,16H2,1H3,(H,30,33)(H,31,32)