8-azanyl-8-oxidanylidene-2-(3-oxidanylidene-2-phenyl-prop-2-enyl)octanoic acid

Systemtic Name: 8-azanyl-8-oxidanylidene-2-(3-oxidanylidene-2-phenyl-prop-2-enyl)octanoic acid Openeye Name: 8-amino-8-oxo-2-(3-oxo-2-phenyl-allyl)octanoic acid CAS Name: 8-amino-8-oxo-2-(3-oxo-2-phenylprop-2-enyl)octanoic acid IUPAC Name: 8-amino-8-oxo-2-(3-oxo-2-phenylprop-2-enyl)octanoic acid Traditional Name: 2-(6-amino-6-keto-hexyl)-5-keto-4-phenyl-pent-4-enoic acid Formula: C17H21NO4 MolecularWeight: 303.35294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=C=O)CC(CCCCCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=C=O)CC(CCCCCC(=O)N)C(=O)O

InChI

InChI=1S/C17H21NO4/c18-16(20)10-6-2-5-9-14(17(21)22)11-15(12-19)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-11H2,(H2,18,20)(H,21,22)