3-[2-(3-butan-2-yloxyphenyl)ethanoylamino]-2-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 3-[2-(3-butan-2-yloxyphenyl)ethanoylamino]-2-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 2-(3,4-dimethoxyphenyl)-3-[[2-(3-sec-butoxyphenyl)acetyl]amino]propanoic acid CAS Name: 3-[[2-(3-butan-2-yloxyphenyl)-1-oxoethyl]amino]-2-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 3-[[2-(3-butan-2-yloxyphenyl)acetyl]amino]-2-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 2-(3,4-dimethoxyphenyl)-3-[[2-(3-sec-butoxyphenyl)acetyl]amino]propionic acid Formula: C23H29NO6 MolecularWeight: 415.47946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)CC(=O)NCC(C2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)CC(=O)NCC(C2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C23H29NO6/c1-5-15(2)30-18-8-6-7-16(11-18)12-22(25)24-14-19(23(26)27)17-9-10-20(28-3)21(13-17)29-4/h6-11,13,15,19H,5,12,14H2,1-4H3,(H,24,25)(H,26,27)