ethyl (3R,6S,7S,7aS)-7-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-6-carboxylate

Systemtic Name: ethyl (3R,6S,7S,7aS)-7-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-6-carboxylate Openeye Name: ethyl (3R,6S,7S,7aS)-7-[2-(dibenzylamino)-2-oxo-ethyl]-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazole-6-carboxylate CAS Name: (3R,6S,7S,7aS)-7-[2-[bis(phenylmethyl)amino]-2-oxoethyl]-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3R,6S,7S,7aS)-7-[2-(dibenzylamino)-2-oxoethyl]-5-oxo-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-6-carboxylate Traditional Name: (3R,6S,7S,7aS)-7-[2-(dibenzylamino)-2-keto-ethyl]-5-keto-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]oxazole-6-carboxylic acid ethyl ester Formula: C31H32N2O5 MolecularWeight: 512.59618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C2COC(N2C1=O)C3=CC=CC=C3)CC(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H]([C@H]2CO[C@@H](N2C1=O)C3=CC=CC=C3)CC(=O)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H32N2O5/c1-2-37-31(36)28-25(26-21-38-30(33(26)29(28)35)24-16-10-5-11-17-24)18-27(34)32(19-22-12-6-3-7-13-22)20-23-14-8-4-9-15-23/h3-17,25-26,28,30H,2,18-21H2,1H3/t25-,26-,28+,30-/m1/s1