3-[[(E)-2-[(4-butoxyphenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]propanoic acid

Systemtic Name: 3-[[(E)-2-[(4-butoxyphenyl)carbonylamino]-3-phenyl-prop-2-enoyl]amino]propanoic acid Openeye Name: 3-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenyl-prop-2-enoyl]amino]propanoic acid CAS Name: 3-[[(E)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid IUPAC Name: 3-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]propanoic acid Traditional Name: 3-[[(E)-2-[(4-butoxybenzoyl)amino]-3-phenyl-acryloyl]amino]propionic acid Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2)C(=O)NCCC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CC=C2)/C(=O)NCCC(=O)O

InChI

InChI=1S/C23H26N2O5/c1-2-3-15-30-19-11-9-18(10-12-19)22(28)25-20(16-17-7-5-4-6-8-17)23(29)24-14-13-21(26)27/h4-12,16H,2-3,13-15H2,1H3,(H,24,29)(H,25,28)(H,26,27)/b20-16+