(phenylmethyl) (4S)-4-[2-(1-hexyl-4-nitro-indol-3-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Systemtic Name: (phenylmethyl) (4S)-4-[2-(1-hexyl-4-nitro-indol-3-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Openeye Name: benzyl (4S)-4-[2-(1-hexyl-4-nitro-indol-3-yl)ethyl]-2,2-dimethyl-oxazolidine-3-carboxylate CAS Name: (4S)-4-[2-(1-hexyl-4-nitro-3-indolyl)ethyl]-2,2-dimethyl-3-oxazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-[2-(1-hexyl-4-nitroindol-3-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate Traditional Name: (4S)-4-[2-(1-hexyl-4-nitro-indol-3-yl)ethyl]-2,2-dimethyl-oxazolidine-3-carboxylic acid benzyl ester Formula: C29H37N3O5 MolecularWeight: 507.62118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C2=C1C=CC=C2[N+](=O)[O-])CCC3COC(N3C(=O)OCC4=CC=CC=C4)(C)C

Isomeric SMILES

CCCCCCN1C=C(C2=C1C=CC=C2[N+](=O)[O-])CC[C@H]3COC(N3C(=O)OCC4=CC=CC=C4)(C)C

InChI

InChI=1S/C29H37N3O5/c1-4-5-6-10-18-30-19-23(27-25(30)14-11-15-26(27)32(34)35)16-17-24-21-37-29(2,3)31(24)28(33)36-20-22-12-8-7-9-13-22/h7-9,11-15,19,24H,4-6,10,16-18,20-21H2,1-3H3/t24-/m0/s1