2-(cyclohexylcarbonylamino)-8-oxidanylidene-8-phenylazanyl-octanoic acid

Systemtic Name: 2-(cyclohexylcarbonylamino)-8-oxidanylidene-8-phenylazanyl-octanoic acid Openeye Name: 8-anilino-2-(cyclohexanecarbonylamino)-8-oxo-octanoic acid CAS Name: 8-anilino-2-[[cyclohexyl(oxo)methyl]amino]-8-oxooctanoic acid IUPAC Name: 8-anilino-2-(cyclohexanecarbonylamino)-8-oxooctanoic acid Traditional Name: 8-anilino-2-(cyclohexanecarbonylamino)-8-keto-caprylic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(CCCCCC(=O)NC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(=O)NC(CCCCCC(=O)NC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H30N2O4/c24-19(22-17-12-6-2-7-13-17)15-9-3-8-14-18(21(26)27)23-20(25)16-10-4-1-5-11-16/h2,6-7,12-13,16,18H,1,3-5,8-11,14-15H2,(H,22,24)(H,23,25)(H,26,27)