ethyl 2-(heptadecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate

Systemtic Name: ethyl 2-(heptadecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate Openeye Name: ethyl 2-(heptadecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propanoate CAS Name: 3-(4-methoxy-3-nitrophenyl)-2-(1-oxoheptadecylamino)propanoic acid ethyl ester IUPAC Name: ethyl 2-(heptadecanoylamino)-3-(4-methoxy-3-nitrophenyl)propanoate Traditional Name: 2-(heptadecanoylamino)-3-(4-methoxy-3-nitro-phenyl)propionic acid ethyl ester Formula: C29H48N2O6 MolecularWeight: 520.70122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)NC(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)NC(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C29H48N2O6/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)30-25(29(33)37-5-2)22-24-20-21-27(36-3)26(23-24)31(34)35/h20-21,23,25H,4-19,22H2,1-3H3,(H,30,32)