[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)C=CC(=O)OCC(=O)NC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)/C=C/C(=O)OCC(=O)NC(=O)NCC3=CC=CO3

InChI

InChI=1S/C23H27N3O5/c27-21(25-23(29)24-16-20-6-5-15-30-20)17-31-22(28)12-9-18-7-10-19(11-8-18)26-13-3-1-2-4-14-26/h5-12,15H,1-4,13-14,16-17H2,(H2,24,25,27,29)/b12-9+