[(1S,2S)-2-(dimethylamino)-1-phenyl-propyl] (2R)-2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxybutanoate

Systemtic Name: [(1S,2S)-2-(dimethylamino)-1-phenyl-propyl] (2R)-2-(5-oxidanyl-4-oxidanylidene-2-phenyl-chromen-7-yl)oxybutanoate Openeye Name: [(1S,2S)-2-(dimethylamino)-1-phenyl-propyl] (2R)-2-(5-hydroxy-4-oxo-2-phenyl-chromen-7-yl)oxybutanoate CAS Name: (2R)-2-[(5-hydroxy-4-oxo-2-phenyl-1-benzopyran-7-yl)oxy]butanoic acid [(1S,2S)-2-(dimethylamino)-1-phenylpropyl] ester IUPAC Name: [(1S,2S)-2-(dimethylamino)-1-phenylpropyl] (2R)-2-(5-hydroxy-4-oxo-2-phenylchromen-7-yl)oxybutanoate Traditional Name: (2R)-2-(5-hydroxy-4-keto-2-phenyl-chromen-7-yl)oxybutyric acid [(1S,2S)-2-(dimethylamino)-1-phenyl-propyl] ester Formula: C30H31NO6 MolecularWeight: 501.57024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C1=CC=CC=C1)C(C)N(C)C)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O

Isomeric SMILES

CC[C@H](C(=O)O[C@@H](C1=CC=CC=C1)[C@H](C)N(C)C)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O

InChI

InChI=1S/C30H31NO6/c1-5-25(30(34)37-29(19(2)31(3)4)21-14-10-7-11-15-21)35-22-16-23(32)28-24(33)18-26(36-27(28)17-22)20-12-8-6-9-13-20/h6-19,25,29,32H,5H2,1-4H3/t19-,25+,29+/m0/s1