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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCCC(CC1=CC=C(C=C1)C2=CC=CC=C2C#N)C(=O)NC3=C(C=CC=C3[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C27H25N3O5/c1-3-7-20(16-18-12-14-19(15-13-18)22-9-5-4-8-21(22)17-28)26(31)29-25-23(27(32)35-2)10-6-11-24(25)30(33)34/h4-6,8-15,20H,3,7,16H2,1-2H3,(H,29,31)