2-[3-(3-methoxyphenyl)propanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[3-(3-methoxyphenyl)propanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[3-(3-methoxyphenyl)propanoylamino]-3-methyl-butanoic acid CAS Name: 2-[[3-(3-methoxyphenyl)-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[3-(3-methoxyphenyl)propanoylamino]-3-methylbutanoic acid Traditional Name: 2-[3-(3-methoxyphenyl)propanoylamino]-3-methyl-butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CCC1=CC(=CC=C1)OC

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CCC1=CC(=CC=C1)OC

InChI

InChI=1S/C15H21NO4/c1-10(2)14(15(18)19)16-13(17)8-7-11-5-4-6-12(9-11)20-3/h4-6,9-10,14H,7-8H2,1-3H3,(H,16,17)(H,18,19)