[(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 4-nitrobenzoate

Systemtic Name: [(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 4-nitrobenzoate Openeye Name: [(3-cyano-4-phenyl-phenyl)methyl-pentanoyl-amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3-cyano-4-phenylphenyl)methyl-(1-oxopentyl)amino] ester IUPAC Name: [(3-cyano-4-phenylphenyl)methyl-pentanoylamino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3-cyano-4-phenyl-benzyl)-valeryl-amino] ester Formula: C26H23N3O5 MolecularWeight: 457.47792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O5/c1-2-3-9-25(30)28(34-26(31)21-11-13-23(14-12-21)29(32)33)18-19-10-15-24(22(16-19)17-27)20-7-5-4-6-8-20/h4-8,10-16H,2-3,9,18H2,1H3