8-oxidanylidene-8-phenylazanyl-7-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: 8-oxidanylidene-8-phenylazanyl-7-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 8-anilino-7-(benzyloxycarbonylamino)-8-oxo-octanoic acid CAS Name: 8-anilino-8-oxo-7-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 8-anilino-8-oxo-7-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 8-anilino-7-(benzyloxycarbonylamino)-8-keto-caprylic acid Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCCC(=O)O)C(=O)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCCCC(=O)O)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5/c25-20(26)15-9-3-8-14-19(21(27)23-18-12-6-2-7-13-18)24-22(28)29-16-17-10-4-1-5-11-17/h1-2,4-7,10-13,19H,3,8-9,14-16H2,(H,23,27)(H,24,28)(H,25,26)