7-cyano-6,21-bis(oxidanylidene)-5-(phenoxycarbonylamino)henicosanoic acid

Systemtic Name: 7-cyano-6,21-bis(oxidanylidene)-5-(phenoxycarbonylamino)henicosanoic acid Openeye Name: 7-cyano-6,21-dioxo-5-(phenoxycarbonylamino)henicosanoic acid CAS Name: 7-cyano-6,21-dioxo-5-[[oxo(phenoxy)methyl]amino]heneicosanoic acid IUPAC Name: 7-cyano-6,21-dioxo-5-(phenoxycarbonylamino)henicosanoic acid Traditional Name: 5-(carbophenoxyamino)-7-cyano-6,21-diketo-heneicosanoic acid Formula: C29H42N2O6 MolecularWeight: 514.65358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NC(CCCC(=O)O)C(=O)C(CCCCCCCCCCCCCC=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)NC(CCCC(=O)O)C(=O)C(CCCCCCCCCCCCCC=O)C#N

InChI

InChI=1S/C29H42N2O6/c30-23-24(17-12-9-7-5-3-1-2-4-6-8-10-15-22-32)28(35)26(20-16-21-27(33)34)31-29(36)37-25-18-13-11-14-19-25/h11,13-14,18-19,22,24,26H,1-10,12,15-17,20-21H2,(H,31,36)(H,33,34)