2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoic acid

Systemtic Name: 2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoic acid Openeye Name: 2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoic acid CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-3-(4-bromophenyl)-2-methylpropanoic acid IUPAC Name: 2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methylpropanoic acid Traditional Name: 2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propionic acid Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Br)(C(=O)O)NC(=O)OC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CC(CC1=CC=C(C=C1)Br)(C(=O)O)NC(=O)OC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H26BrNO4/c1-21(19(24)25,11-12-2-4-17(22)5-3-12)23-20(26)27-18-15-7-13-6-14(9-15)10-16(18)8-13/h2-5,13-16,18H,6-11H2,1H3,(H,23,26)(H,24,25)