ethyl (2S,3R)-1-(diphenylmethyl)-2-[oxidanyl(phenyl)methyl]-3-phenyl-aziridine-2-carboxylate

Systemtic Name: ethyl (2S,3R)-1-(diphenylmethyl)-2-[oxidanyl(phenyl)methyl]-3-phenyl-aziridine-2-carboxylate Openeye Name: ethyl (2S,3R)-1-benzhydryl-2-[hydroxy(phenyl)methyl]-3-phenyl-aziridine-2-carboxylate CAS Name: (2S,3R)-1-(diphenylmethyl)-2-[hydroxy(phenyl)methyl]-3-phenyl-2-aziridinecarboxylic acid ethyl ester IUPAC Name: ethyl (2S,3R)-1-benzhydryl-2-[hydroxy(phenyl)methyl]-3-phenylaziridine-2-carboxylate Traditional Name: (2S,3R)-1-benzhydryl-2-[hydroxy(phenyl)methyl]-3-phenyl-ethylenimine-2-carboxylic acid ethyl ester Formula: C31H29NO3 MolecularWeight: 463.56686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(N1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)O

Isomeric SMILES

CCOC(=O)[C@]1([C@H](N1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C(C5=CC=CC=C5)O

InChI

InChI=1S/C31H29NO3/c1-2-35-30(34)31(29(33)26-21-13-6-14-22-26)28(25-19-11-5-12-20-25)32(31)27(23-15-7-3-8-16-23)24-17-9-4-10-18-24/h3-22,27-29,33H,2H2,1H3/t28-,29?,31+,32?/m1/s1