[(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 2,5-dimethyl-3-nitro-benzoate

Systemtic Name: [(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 2,5-dimethyl-3-nitro-benzoate Openeye Name: [(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 2,5-dimethyl-3-nitro-benzoate CAS Name: 2,5-dimethyl-3-nitrobenzoic acid [(3-cyano-4-phenylphenyl)methyl-(1-oxopentyl)amino] ester IUPAC Name: [(3-cyano-4-phenylphenyl)methyl-pentanoylamino] 2,5-dimethyl-3-nitrobenzoate Traditional Name: 2,5-dimethyl-3-nitro-benzoic acid [(3-cyano-4-phenyl-benzyl)-valeryl-amino] ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)OC(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])C

Isomeric SMILES

CCCCC(=O)N(CC1=CC(=C(C=C1)C2=CC=CC=C2)C#N)OC(=O)C3=CC(=CC(=C3C)[N+](=O)[O-])C

InChI

InChI=1S/C28H27N3O5/c1-4-5-11-27(32)30(36-28(33)25-14-19(2)15-26(20(25)3)31(34)35)18-21-12-13-24(23(16-21)17-29)22-9-7-6-8-10-22/h6-10,12-16H,4-5,11,18H2,1-3H3