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

Systemtic Name: 3-[(2-oxidanylidenechromen-3-yl)carbonylamino]propyl (E)-3-(4-butoxyphenyl)prop-2-enoate Openeye Name: 3-[(2-oxochromene-3-carbonyl)amino]propyl (E)-3-(4-butoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-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)prop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)acrylic acid 3-[(2-ketochromene-3-carbonyl)amino]propyl ester Formula: C26H27NO6 MolecularWeight: 449.49568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO6/c1-2-3-16-31-21-12-9-19(10-13-21)11-14-24(28)32-17-6-15-27-25(29)22-18-20-7-4-5-8-23(20)33-26(22)30/h4-5,7-14,18H,2-3,6,15-17H2,1H3,(H,27,29)/b14-11+