[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 4-(1H-indol-3-yl)butanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C25H32N2O3/c1-16(24(29)27-25-12-17-9-18(13-25)11-19(10-17)14-25)30-23(28)8-4-5-20-15-26-22-7-3-2-6-21(20)22/h2-3,6-7,15-19,26H,4-5,8-14H2,1H3,(H,27,29)/t16-,17?,18?,19?,25?/m1/s1