2-[2-azanyl-4-methoxy-3-(2,5,5-trimethyl-4-oxidanylidene-hexan-3-yl)phenyl]ethanoic acid

Systemtic Name: 2-[2-azanyl-4-methoxy-3-(2,5,5-trimethyl-4-oxidanylidene-hexan-3-yl)phenyl]ethanoic acid Openeye Name: 2-[2-amino-3-(1-isopropyl-3,3-dimethyl-2-oxo-butyl)-4-methoxy-phenyl]acetic acid CAS Name: 2-[2-amino-4-methoxy-3-(2,5,5-trimethyl-4-oxohexan-3-yl)phenyl]acetic acid IUPAC Name: 2-[2-amino-4-methoxy-3-(2,5,5-trimethyl-4-oxohexan-3-yl)phenyl]acetic acid Traditional Name: 2-[2-amino-3-(1-isopropyl-2-keto-3,3-dimethyl-butyl)-4-methoxy-phenyl]acetic acid Formula: C18H27NO4 MolecularWeight: 321.41128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C(C=CC(=C1N)CC(=O)O)OC)C(=O)C(C)(C)C

Isomeric SMILES

CC(C)C(C1=C(C=CC(=C1N)CC(=O)O)OC)C(=O)C(C)(C)C

InChI

InChI=1S/C18H27NO4/c1-10(2)14(17(22)18(3,4)5)15-12(23-6)8-7-11(16(15)19)9-13(20)21/h7-8,10,14H,9,19H2,1-6H3,(H,20,21)