(6R)-3-[(1S)-1-(3-aminophenyl)propyl]-4-oxidanyl-6-phenethyl-6-propyl-oxan-2-one

Systemtic Name: (6R)-3-[(1S)-1-(3-aminophenyl)propyl]-4-oxidanyl-6-phenethyl-6-propyl-oxan-2-one Openeye Name: (6R)-3-[(1S)-1-(3-aminophenyl)propyl]-4-hydroxy-6-phenethyl-6-propyl-tetrahydropyran-2-one CAS Name: (6R)-3-[(1S)-1-(3-aminophenyl)propyl]-4-hydroxy-6-phenethyl-6-propyl-2-oxanone IUPAC Name: (6R)-3-[(1S)-1-(3-aminophenyl)propyl]-4-hydroxy-6-phenethyl-6-propyloxan-2-one Traditional Name: (6R)-3-[(1S)-1-(3-aminophenyl)propyl]-4-hydroxy-6-phenethyl-6-propyl-tetrahydropyran-2-one Formula: C25H33NO3 MolecularWeight: 395.53442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC(C(C(=O)O1)C(CC)C2=CC(=CC=C2)N)O)CCC3=CC=CC=C3

Isomeric SMILES

CCC[C@]1(CC(C(C(=O)O1)[C@H](CC)C2=CC(=CC=C2)N)O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H33NO3/c1-3-14-25(15-13-18-9-6-5-7-10-18)17-22(27)23(24(28)29-25)21(4-2)19-11-8-12-20(26)16-19/h5-12,16,21-23,27H,3-4,13-15,17,26H2,1-2H3/t21-,22?,23?,25-/m1/s1