2-[(1S,2R)-1-(butylamino)-1-phenyl-propan-2-yl]-3-oxidanyl-4-oxaspiro[4.5]dec-2-en-1-one

Systemtic Name: 2-[(1S,2R)-1-(butylamino)-1-phenyl-propan-2-yl]-3-oxidanyl-4-oxaspiro[4.5]dec-2-en-1-one Openeye Name: 2-[(1R,2S)-2-(butylamino)-1-methyl-2-phenyl-ethyl]-3-hydroxy-4-oxaspiro[4.5]dec-2-en-1-one CAS Name: 2-[(1S,2R)-1-(butylamino)-1-phenylpropan-2-yl]-3-hydroxy-4-oxaspiro[4.5]dec-2-en-1-one IUPAC Name: 2-[(1S,2R)-1-(butylamino)-1-phenylpropan-2-yl]-3-hydroxy-4-oxaspiro[4.5]dec-2-en-1-one Traditional Name: 2-[(1R,2S)-2-(butylamino)-1-methyl-2-phenyl-ethyl]-3-hydroxy-4-oxaspiro[4.5]dec-2-en-1-one Formula: C22H31NO3 MolecularWeight: 357.48644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(C1=CC=CC=C1)C(C)C2=C(OC3(C2=O)CCCCC3)O

Isomeric SMILES

CCCCN[C@H](C1=CC=CC=C1)[C@H](C)C2=C(OC3(C2=O)CCCCC3)O

InChI

InChI=1S/C22H31NO3/c1-3-4-15-23-19(17-11-7-5-8-12-17)16(2)18-20(24)22(26-21(18)25)13-9-6-10-14-22/h5,7-8,11-12,16,19,23,25H,3-4,6,9-10,13-15H2,1-2H3/t16-,19+/m1/s1