[(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate

Systemtic Name: [(2S)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Openeye Name: [(1S)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-(3,4-dimethoxyphenyl)propanoate CAS Name: 3-(3,4-dimethoxyphenyl)propanoic acid [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(3,4-dimethoxyphenyl)propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)propionic acid [(1S)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C24H33NO5 MolecularWeight: 415.52252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C24H33NO5/c1-15(23(27)25-24-12-17-8-18(13-24)10-19(9-17)14-24)30-22(26)7-5-16-4-6-20(28-2)21(11-16)29-3/h4,6,11,15,17-19H,5,7-10,12-14H2,1-3H3,(H,25,27)/t15-,17?,18?,19?,24?/m0/s1