[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4

InChI

InChI=1S/C22H29NO4/c1-2-19(27-18-6-4-3-5-7-18)21(25)26-14-20(24)23-22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,15-17,19H,2,8-14H2,1H3,(H,23,24)/t15?,16?,17?,19-,22?/m1/s1