2-azanyl-5-(3-cyanophenyl)-7-(4-cyanophenyl)-3-oxidanylidene-heptanoic acid

Systemtic Name: 2-azanyl-5-(3-cyanophenyl)-7-(4-cyanophenyl)-3-oxidanylidene-heptanoic acid Openeye Name: 2-amino-5-(3-cyanophenyl)-7-(4-cyanophenyl)-3-oxo-heptanoic acid CAS Name: 2-amino-5-(3-cyanophenyl)-7-(4-cyanophenyl)-3-oxoheptanoic acid IUPAC Name: 2-amino-5-(3-cyanophenyl)-7-(4-cyanophenyl)-3-oxoheptanoic acid Traditional Name: 2-amino-5-(3-cyanophenyl)-7-(4-cyanophenyl)-3-keto-enanthic acid Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(CCC2=CC=C(C=C2)C#N)CC(=O)C(C(=O)O)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(CCC2=CC=C(C=C2)C#N)CC(=O)C(C(=O)O)N)C#N

InChI

InChI=1S/C21H19N3O3/c22-12-15-6-4-14(5-7-15)8-9-18(11-19(25)20(24)21(26)27)17-3-1-2-16(10-17)13-23/h1-7,10,18,20H,8-9,11,24H2,(H,26,27)