[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (E)-3-(o-tolyl)prop-2-enoate CAS Name: (E)-3-(2-methylphenyl)-2-propenoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (E)-3-(2-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(o-tolyl)acrylic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H29NO3 MolecularWeight: 367.48126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=CC(=O)OC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC=C1/C=C/C(=O)O[C@H](C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H29NO3/c1-15-5-3-4-6-20(15)7-8-21(25)27-16(2)22(26)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h3-8,16-19H,9-14H2,1-2H3,(H,24,26)/b8-7+/t16-,17?,18?,19?,23?/m1/s1