3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: 3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid 3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]propyl ester IUPAC Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid 3-[(2-ketochromene-3-carbonyl)amino]propyl ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCCCNC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCCCNC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C27H26N2O6/c1-2-3-14-33-22-11-9-19(10-12-22)16-21(18-28)26(31)34-15-6-13-29-25(30)23-17-20-7-4-5-8-24(20)35-27(23)32/h4-5,7-12,16-17H,2-3,6,13-15H2,1H3,(H,29,30)/b21-16+