methyl (2S,5S)-2,6-dimethyl-4-oxidanylidene-5-[(triphenylmethyl)amino]heptanoate

Systemtic Name: methyl (2S,5S)-2,6-dimethyl-4-oxidanylidene-5-[(triphenylmethyl)amino]heptanoate Openeye Name: methyl (2S,5S)-2,6-dimethyl-4-oxo-5-(tritylamino)heptanoate CAS Name: (2S,5S)-2,6-dimethyl-4-oxo-5-[(triphenylmethyl)amino]heptanoic acid methyl ester IUPAC Name: methyl (2S,5S)-2,6-dimethyl-4-oxo-5-(tritylamino)heptanoate Traditional Name: (2S,5S)-4-keto-2,6-dimethyl-5-(tritylamino)enanthic acid methyl ester Formula: C29H33NO3 MolecularWeight: 443.57722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)CC(C)C(=O)OC)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO3/c1-21(2)27(26(31)20-22(3)28(32)33-4)30-29(23-14-8-5-9-15-23,24-16-10-6-11-17-24)25-18-12-7-13-19-25/h5-19,21-22,27,30H,20H2,1-4H3/t22-,27-/m0/s1