5-[[3-(diethylcarbamoyl)phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-(diethylcarbamoyl)phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(diethylcarbamoyl)anilino]-5-oxo-pentanoic acid CAS Name: 5-[3-[diethylamino(oxo)methyl]anilino]-5-oxopentanoic acid IUPAC Name: 5-[3-(diethylcarbamoyl)anilino]-5-oxopentanoic acid Traditional Name: 5-[3-(diethylcarbamoyl)anilino]-5-keto-valeric acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCCC(=O)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)CCCC(=O)O

InChI

InChI=1S/C16H22N2O4/c1-3-18(4-2)16(22)12-7-5-8-13(11-12)17-14(19)9-6-10-15(20)21/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,17,19)(H,20,21)