4-[methyl-[2-phenylmethoxy-1-(4-prop-2-enoxyphenyl)ethyl]amino]but-2-ynoic acid

Systemtic Name: 4-[methyl-[2-phenylmethoxy-1-(4-prop-2-enoxyphenyl)ethyl]amino]but-2-ynoic acid Openeye Name: 4-[[1-(4-allyloxyphenyl)-2-benzyloxy-ethyl]-methyl-amino]but-2-ynoic acid CAS Name: 4-[methyl-[2-phenylmethoxy-1-(4-prop-2-enoxyphenyl)ethyl]amino]-2-butynoic acid IUPAC Name: 4-[methyl-[2-phenylmethoxy-1-(4-prop-2-enoxyphenyl)ethyl]amino]but-2-ynoic acid Traditional Name: 4-[[1-(4-allyloxyphenyl)-2-benzoxy-ethyl]-methyl-amino]but-2-ynoic acid Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CC(=O)O)C(COCC1=CC=CC=C1)C2=CC=C(C=C2)OCC=C

Isomeric SMILES

CN(CC#CC(=O)O)C(COCC1=CC=CC=C1)C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C23H25NO4/c1-3-16-28-21-13-11-20(12-14-21)22(24(2)15-7-10-23(25)26)18-27-17-19-8-5-4-6-9-19/h3-6,8-9,11-14,22H,1,15-18H2,2H3,(H,25,26)