1-[4-[(2S)-3-(1-adamantylamino)-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone

Systemtic Name: 1-[4-[(2S)-3-(1-adamantylamino)-2-oxidanyl-propoxy]-3-methoxy-phenyl]ethanone Openeye Name: 1-[4-[(2S)-3-(1-adamantylamino)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone CAS Name: 1-[4-[(2S)-3-(1-adamantylamino)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone IUPAC Name: 1-[4-[(2S)-3-(1-adamantylamino)-2-hydroxypropoxy]-3-methoxyphenyl]ethanone Traditional Name: 1-[4-[(2S)-3-(1-adamantylamino)-2-hydroxy-propoxy]-3-methoxy-phenyl]ethanone Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OCC(CNC23CC4CC(C2)CC(C4)C3)O)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC[C@H](CNC23CC4CC(C2)CC(C4)C3)O)OC

InChI

InChI=1S/C22H31NO4/c1-14(24)18-3-4-20(21(8-18)26-2)27-13-19(25)12-23-22-9-15-5-16(10-22)7-17(6-15)11-22/h3-4,8,15-17,19,23,25H,5-7,9-13H2,1-2H3/t15?,16?,17?,19-,22?/m0/s1