3-[[(E)-2-[(4-butoxyphenyl)carbonylamino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoate

Systemtic Name: 3-[[(E)-2-[(4-butoxyphenyl)carbonylamino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-[(4-butoxybenzoyl)amino]-3-(2-furyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-[[(4-butoxyphenyl)-oxomethyl]amino]-3-(2-furanyl)-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-[(4-butoxybenzoyl)amino]-3-(furan-2-yl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-[(4-butoxybenzoyl)amino]-3-(2-furyl)acryloyl]amino]propionate Formula: C21H23N2O6- MolecularWeight: 399.41712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=CC2=CC=CO2)C(=O)NCCC(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCCC(=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-2-3-12-28-16-8-6-15(7-9-16)20(26)23-18(14-17-5-4-13-29-17)21(27)22-11-10-19(24)25/h4-9,13-14H,2-3,10-12H2,1H3,(H,22,27)(H,23,26)(H,24,25)/p-1/b18-14+