2-[4-[[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-pentanoyl-amino]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-pentanoyl-amino]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[(1-carboxy-2-methyl-propyl)-pentanoyl-amino]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)-(1-oxopentyl)amino]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)-pentanoylamino]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[(1-carboxy-2-methyl-propyl)-valeryl-amino]methyl]phenyl]benzoic acid Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O)C(C(C)C)C(=O)O

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C(=O)O)C(C(C)C)C(=O)O

InChI

InChI=1S/C24H29NO5/c1-4-5-10-21(26)25(22(16(2)3)24(29)30)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23(27)28/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,27,28)(H,29,30)