10-azanyl-2-[(2-oxidanylidene-6-phenyl-azepan-3-yl)amino]decanoic acid

Systemtic Name: 10-azanyl-2-[(2-oxidanylidene-6-phenyl-azepan-3-yl)amino]decanoic acid Openeye Name: 10-amino-2-[(2-oxo-6-phenyl-azepan-3-yl)amino]decanoic acid CAS Name: 10-amino-2-[(2-oxo-6-phenyl-3-azepanyl)amino]decanoic acid IUPAC Name: 10-amino-2-[(2-oxo-6-phenylazepan-3-yl)amino]decanoic acid Traditional Name: 10-amino-2-[(2-keto-6-phenyl-azepan-3-yl)amino]capric acid Formula: C22H35N3O3 MolecularWeight: 389.5316

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)NCC1C2=CC=CC=C2)NC(CCCCCCCCN)C(=O)O

Isomeric SMILES

C1CC(C(=O)NCC1C2=CC=CC=C2)NC(CCCCCCCCN)C(=O)O

InChI

InChI=1S/C22H35N3O3/c23-15-9-4-2-1-3-8-12-20(22(27)28)25-19-14-13-18(16-24-21(19)26)17-10-6-5-7-11-17/h5-7,10-11,18-20,25H,1-4,8-9,12-16,23H2,(H,24,26)(H,27,28)