2-azanyl-4-(2-butylphenyl)-2-(2-methylpropyl)-3-oxidanylidene-hexanoic acid

Systemtic Name: 2-azanyl-4-(2-butylphenyl)-2-(2-methylpropyl)-3-oxidanylidene-hexanoic acid Openeye Name: 2-amino-4-(2-butylphenyl)-2-isobutyl-3-oxo-hexanoic acid CAS Name: 2-amino-4-(2-butylphenyl)-2-(2-methylpropyl)-3-oxohexanoic acid IUPAC Name: 2-amino-4-(2-butylphenyl)-2-(2-methylpropyl)-3-oxohexanoic acid Traditional Name: 2-amino-4-(2-butylphenyl)-2-isobutyl-3-keto-hexanoic acid Formula: C20H31NO3 MolecularWeight: 333.46504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(CC)C(=O)C(CC(C)C)(C(=O)O)N

Isomeric SMILES

CCCCC1=CC=CC=C1C(CC)C(=O)C(CC(C)C)(C(=O)O)N

InChI

InChI=1S/C20H31NO3/c1-5-7-10-15-11-8-9-12-17(15)16(6-2)18(22)20(21,19(23)24)13-14(3)4/h8-9,11-12,14,16H,5-7,10,13,21H2,1-4H3,(H,23,24)