ethyl (E,4S)-7-oxidanylidene-4-(phenylmethoxycarbonylamino)-7-[(triphenylmethyl)amino]hept-2-enoate

Systemtic Name: ethyl (E,4S)-7-oxidanylidene-4-(phenylmethoxycarbonylamino)-7-[(triphenylmethyl)amino]hept-2-enoate Openeye Name: ethyl (E,4S)-4-(benzyloxycarbonylamino)-7-oxo-7-(tritylamino)hept-2-enoate CAS Name: (E,4S)-7-oxo-4-(phenylmethoxycarbonylamino)-7-[(triphenylmethyl)amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-7-oxo-4-(phenylmethoxycarbonylamino)-7-(tritylamino)hept-2-enoate Traditional Name: (E,4S)-4-(benzyloxycarbonylamino)-7-keto-7-(tritylamino)hept-2-enoic acid ethyl ester Formula: C36H36N2O5 MolecularWeight: 576.68144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C36H36N2O5/c1-2-42-34(40)26-24-32(37-35(41)43-27-28-15-7-3-8-16-28)23-25-33(39)38-36(29-17-9-4-10-18-29,30-19-11-5-12-20-30)31-21-13-6-14-22-31/h3-22,24,26,32H,2,23,25,27H2,1H3,(H,37,41)(H,38,39)/b26-24+/t32-/m0/s1