3-[4-methoxy-3-[[3-(4-methylphenyl)prop-2-ynoylamino]methyl]phenyl]-2-propan-2-yloxy-propanoic acid

Systemtic Name: 3-[4-methoxy-3-[[3-(4-methylphenyl)prop-2-ynoylamino]methyl]phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 2-isopropoxy-3-[4-methoxy-3-[[3-(p-tolyl)prop-2-ynoylamino]methyl]phenyl]propanoic acid CAS Name: 3-[4-methoxy-3-[[[3-(4-methylphenyl)-1-oxoprop-2-ynyl]amino]methyl]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[4-methoxy-3-[[3-(4-methylphenyl)prop-2-ynoylamino]methyl]phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 2-isopropoxy-3-[4-methoxy-3-[[[3-(p-tolyl)propioloyl]amino]methyl]phenyl]propionic acid Formula: C24H27NO5 MolecularWeight: 409.47488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(=O)NCC2=C(C=CC(=C2)CC(C(=O)O)OC(C)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(=O)NCC2=C(C=CC(=C2)CC(C(=O)O)OC(C)C)OC

InChI

InChI=1S/C24H27NO5/c1-16(2)30-22(24(27)28)14-19-9-11-21(29-4)20(13-19)15-25-23(26)12-10-18-7-5-17(3)6-8-18/h5-9,11,13,16,22H,14-15H2,1-4H3,(H,25,26)(H,27,28)