ethyl (4R,6S)-3-(diphenylmethyl)-6-(iodanylmethyl)-2-oxidanylidene-4-phenethyl-1,3-diazinane-1-carboxylate

Systemtic Name: ethyl (4R,6S)-3-(diphenylmethyl)-6-(iodanylmethyl)-2-oxidanylidene-4-phenethyl-1,3-diazinane-1-carboxylate Openeye Name: ethyl (4R,6S)-3-benzhydryl-6-(iodomethyl)-2-oxo-4-phenethyl-hexahydropyrimidine-1-carboxylate CAS Name: (4R,6S)-3-(diphenylmethyl)-6-(iodomethyl)-2-oxo-4-phenethyl-1,3-diazinane-1-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,6S)-3-benzhydryl-6-(iodomethyl)-2-oxo-4-phenethyl-1,3-diazinane-1-carboxylate Traditional Name: (4R,6S)-3-benzhydryl-6-(iodomethyl)-2-keto-4-phenethyl-hexahydropyrimidine-1-carboxylic acid ethyl ester Formula: C29H31IN2O3 MolecularWeight: 582.47251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(CC(N(C1=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4)CI

Isomeric SMILES

CCOC(=O)N1[C@@H](C[C@H](N(C1=O)C(C2=CC=CC=C2)C3=CC=CC=C3)CCC4=CC=CC=C4)CI

InChI

InChI=1S/C29H31IN2O3/c1-2-35-29(34)32-26(21-30)20-25(19-18-22-12-6-3-7-13-22)31(28(32)33)27(23-14-8-4-9-15-23)24-16-10-5-11-17-24/h3-17,25-27H,2,18-21H2,1H3/t25-,26+/m1/s1