(phenylmethyl) (2S)-2-[[3-[(2E)-3-ethoxy-2-hydroxyimino-3-oxidanylidene-propyl]-7-octyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[3-[(2E)-3-ethoxy-2-hydroxyimino-3-oxidanylidene-propyl]-7-octyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate Openeye Name: benzyl (2S)-2-[[3-[(2E)-3-ethoxy-2-hydroxyimino-3-oxo-propyl]-7-octyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[3-[(2E)-3-ethoxy-2-hydroxyimino-3-oxopropyl]-7-octyl-1H-indol-4-yl]-methylamino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[3-[(2E)-3-ethoxy-2-hydroxyimino-3-oxopropyl]-7-octyl-1H-indol-4-yl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[3-[(2E)-3-ethoxy-2-hydroximino-3-keto-propyl]-7-octyl-1H-indol-4-yl]-methyl-amino]-3-methyl-butyric acid benzyl ester Formula: C34H47N3O5 MolecularWeight: 577.75408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=C(C=C1)N(C)C(C(C)C)C(=O)OCC3=CC=CC=C3)C(=CN2)CC(=NO)C(=O)OCC

Isomeric SMILES

CCCCCCCCC1=C2C(=C(C=C1)N(C)[C@@H](C(C)C)C(=O)OCC3=CC=CC=C3)C(=CN2)C/C(=N\O)/C(=O)OCC

InChI

InChI=1S/C34H47N3O5/c1-6-8-9-10-11-15-18-26-19-20-29(30-27(22-35-31(26)30)21-28(36-40)33(38)41-7-2)37(5)32(24(3)4)34(39)42-23-25-16-13-12-14-17-25/h12-14,16-17,19-20,22,24,32,35,40H,6-11,15,18,21,23H2,1-5H3/b36-28+/t32-/m0/s1