3-(1,4-diazepan-1-yl)propyl (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoate

Systemtic Name: 3-(1,4-diazepan-1-yl)propyl (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoate Openeye Name: 3-(1,4-diazepan-1-yl)propyl (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(2,3,4-trimethoxyphenyl)-2-propenoic acid 3-(1,4-diazepan-1-yl)propyl ester IUPAC Name: 3-(1,4-diazepan-1-yl)propyl (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(2,3,4-trimethoxyphenyl)acrylic acid 3-(1,4-diazepan-1-yl)propyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=CC(=O)OCCCN2CCCNCC2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)/C=C/C(=O)OCCCN2CCCNCC2)OC)OC

InChI

InChI=1S/C20H30N2O5/c1-24-17-8-6-16(19(25-2)20(17)26-3)7-9-18(23)27-15-5-13-22-12-4-10-21-11-14-22/h6-9,21H,4-5,10-15H2,1-3H3/b9-7+