3-methyl-2-[[3-oxidanylidene-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]butanoate

Systemtic Name: 3-methyl-2-[[3-oxidanylidene-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]butanoate Openeye Name: 2-[[3-(4-isopropoxyphenyl)-3-oxo-propyl]ammonio]-3-methyl-butanoate CAS Name: 3-methyl-2-[[3-oxo-3-(4-propan-2-yloxyphenyl)propyl]ammonio]butanoate IUPAC Name: 3-methyl-2-[[3-oxo-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]butanoate Traditional Name: 2-[[3-(4-isopropoxyphenyl)-3-keto-propyl]ammonio]-3-methyl-butyrate Formula: C17H25NO4 MolecularWeight: 307.3847

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])[NH2+]CCC(=O)C1=CC=C(C=C1)OC(C)C

Isomeric SMILES

CC(C)C(C(=O)[O-])[NH2+]CCC(=O)C1=CC=C(C=C1)OC(C)C

InChI

InChI=1S/C17H25NO4/c1-11(2)16(17(20)21)18-10-9-15(19)13-5-7-14(8-6-13)22-12(3)4/h5-8,11-12,16,18H,9-10H2,1-4H3,(H,20,21)