4-[2-[carboxy(3-methylbutyl)amino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid

Systemtic Name: 4-[2-[carboxy(3-methylbutyl)amino]-3-oxidanyl-3-oxidanylidene-propyl]benzoic acid Openeye Name: 4-[2-[carboxy(isopentyl)amino]-3-hydroxy-3-oxo-propyl]benzoic acid CAS Name: 4-[2-[carboxy(3-methylbutyl)amino]-3-hydroxy-3-oxopropyl]benzoic acid IUPAC Name: 4-[2-[carboxy(3-methylbutyl)amino]-3-hydroxy-3-oxopropyl]benzoic acid Traditional Name: 4-[2-[carboxy(isoamyl)amino]-3-hydroxy-3-keto-propyl]benzoic acid Formula: C16H21NO6 MolecularWeight: 323.34104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(CC1=CC=C(C=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCN(C(CC1=CC=C(C=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO6/c1-10(2)7-8-17(16(22)23)13(15(20)21)9-11-3-5-12(6-4-11)14(18)19/h3-6,10,13H,7-9H2,1-2H3,(H,18,19)(H,20,21)(H,22,23)