(6R)-3-[(1S)-1-(3-aminophenyl)propyl]-6-phenethyl-6-propyl-oxane-2,4-dione

Systemtic Name: (6R)-3-[(1S)-1-(3-aminophenyl)propyl]-6-phenethyl-6-propyl-oxane-2,4-dione Openeye Name: (6R)-3-[(1S)-1-(3-aminophenyl)propyl]-6-phenethyl-6-propyl-tetrahydropyran-2,4-dione CAS Name: (6R)-3-[(1S)-1-(3-aminophenyl)propyl]-6-phenethyl-6-propyloxane-2,4-dione IUPAC Name: (6R)-3-[(1S)-1-(3-aminophenyl)propyl]-6-phenethyl-6-propyloxane-2,4-dione Traditional Name: (6R)-3-[(1S)-1-(3-aminophenyl)propyl]-6-phenethyl-6-propyl-tetrahydropyran-2,4-quinone Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO3/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/h5-12,16,21,23H,3-4,13-15,17,26H2,1-2H3/t21-,23?,25-/m1/s1