4-[methyl-[2-phenylmethoxy-1-(3-phenylmethoxyphenyl)ethyl]amino]but-2-ynoic acid

Systemtic Name: 4-[methyl-[2-phenylmethoxy-1-(3-phenylmethoxyphenyl)ethyl]amino]but-2-ynoic acid Openeye Name: 4-[[2-benzyloxy-1-(3-benzyloxyphenyl)ethyl]-methyl-amino]but-2-ynoic acid CAS Name: 4-[methyl-[2-phenylmethoxy-1-(3-phenylmethoxyphenyl)ethyl]amino]-2-butynoic acid IUPAC Name: 4-[methyl-[2-phenylmethoxy-1-(3-phenylmethoxyphenyl)ethyl]amino]but-2-ynoic acid Traditional Name: 4-[[2-benzoxy-1-(3-benzoxyphenyl)ethyl]-methyl-amino]but-2-ynoic acid Formula: C27H27NO4 MolecularWeight: 429.50758

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CC(=O)O)C(COCC1=CC=CC=C1)C2=CC(=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CN(CC#CC(=O)O)C(COCC1=CC=CC=C1)C2=CC(=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C27H27NO4/c1-28(17-9-16-27(29)30)26(21-31-19-22-10-4-2-5-11-22)24-14-8-15-25(18-24)32-20-23-12-6-3-7-13-23/h2-8,10-15,18,26H,17,19-21H2,1H3,(H,29,30)