5-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[2-(azepan-1-ylcarbonyl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-(azepane-1-carbonyl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[2-[1-azepanyl(oxo)methyl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[2-(azepane-1-carbonyl)anilino]-5-oxopentanoic acid Traditional Name: 5-[2-(azepane-1-carbonyl)anilino]-5-keto-valeric acid Formula: C18H24N2O4 MolecularWeight: 332.39416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=O)CCCC(=O)O

InChI

InChI=1S/C18H24N2O4/c21-16(10-7-11-17(22)23)19-15-9-4-3-8-14(15)18(24)20-12-5-1-2-6-13-20/h3-4,8-9H,1-2,5-7,10-13H2,(H,19,21)(H,22,23)