8-azanyl-2-[3-(methylamino)-3-oxidanylidene-2-phenyl-propyl]-8-oxidanylidene-octanoic acid

Systemtic Name: 8-azanyl-2-[3-(methylamino)-3-oxidanylidene-2-phenyl-propyl]-8-oxidanylidene-octanoic acid Openeye Name: 8-amino-2-[3-(methylamino)-3-oxo-2-phenyl-propyl]-8-oxo-octanoic acid CAS Name: 8-amino-2-[3-(methylamino)-3-oxo-2-phenylpropyl]-8-oxooctanoic acid IUPAC Name: 8-amino-2-[3-(methylamino)-3-oxo-2-phenylpropyl]-8-oxooctanoic acid Traditional Name: 8-amino-8-keto-2-[3-keto-3-(methylamino)-2-phenyl-propyl]caprylic acid Formula: C18H26N2O4 MolecularWeight: 334.41004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4/c1-20-17(22)15(13-8-4-2-5-9-13)12-14(18(23)24)10-6-3-7-11-16(19)21/h2,4-5,8-9,14-15H,3,6-7,10-12H2,1H3,(H2,19,21)(H,20,22)(H,23,24)