methyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-4-nitro-benzoate

Systemtic Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-4-nitro-benzoate Openeye Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoyl-amino]-4-nitro-benzoate CAS Name: 3-[[4-(2-cyanophenyl)phenyl]methyl-(1-oxopentyl)amino]-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-cyanophenyl)phenyl]methyl-pentanoylamino]-4-nitrobenzoate Traditional Name: 3-[[4-(2-cyanophenyl)benzyl]-valeryl-amino]-4-nitro-benzoic acid methyl ester Formula: C27H25N3O5 MolecularWeight: 471.5045

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(C=CC(=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C3=C(C=CC(=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O5/c1-3-4-9-26(31)29(25-16-21(27(32)35-2)14-15-24(25)30(33)34)18-19-10-12-20(13-11-19)23-8-6-5-7-22(23)17-28/h5-8,10-16H,3-4,9,18H2,1-2H3