2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-[(4-methoxyphenyl)methyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-[(4-methoxyphenyl)methyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]-p-anisyl-amino]-3-phenyl-propionic acid Formula: C27H25NO6 MolecularWeight: 459.4905

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)CN(C(CC2=CC=CC=C2)C(=O)O)C(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H25NO6/c1-32-22-11-7-21(8-12-22)17-28(23(27(30)31)15-19-5-3-2-4-6-19)26(29)14-10-20-9-13-24-25(16-20)34-18-33-24/h2-14,16,23H,15,17-18H2,1H3,(H,30,31)/b14-10+