4-[2-(2-azanyl-4-methyl-pentanoyl)-3-(2-oxidanylideneethyl)phenyl]benzoic acid

Systemtic Name: 4-[2-(2-azanyl-4-methyl-pentanoyl)-3-(2-oxidanylideneethyl)phenyl]benzoic acid Openeye Name: 4-[2-(2-amino-4-methyl-pentanoyl)-3-(2-oxoethyl)phenyl]benzoic acid CAS Name: 4-[2-(2-amino-4-methyl-1-oxopentyl)-3-(2-oxoethyl)phenyl]benzoic acid IUPAC Name: 4-[2-(2-amino-4-methylpentanoyl)-3-(2-oxoethyl)phenyl]benzoic acid Traditional Name: 4-[2-(2-amino-4-methyl-pentanoyl)-3-(2-ketoethyl)phenyl]benzoic acid Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=C(C=CC=C1CC=O)C2=CC=C(C=C2)C(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)C1=C(C=CC=C1CC=O)C2=CC=C(C=C2)C(=O)O)N

InChI

InChI=1S/C21H23NO4/c1-13(2)12-18(22)20(24)19-15(10-11-23)4-3-5-17(19)14-6-8-16(9-7-14)21(25)26/h3-9,11,13,18H,10,12,22H2,1-2H3,(H,25,26)