methyl 2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoate

Systemtic Name: methyl 2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoate Openeye Name: methyl 2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoate CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-3-(4-bromophenyl)-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methylpropanoate Traditional Name: 2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propionic acid methyl ester Formula: C22H28BrNO4 MolecularWeight: 450.36602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrNO4/c1-22(20(25)27-2,12-13-3-5-18(23)6-4-13)24-21(26)28-19-16-8-14-7-15(10-16)11-17(19)9-14/h3-6,14-17,19H,7-12H2,1-2H3,(H,24,26)