[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C=CC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)/C=C/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H22N2O4/c1-14(19(23)21-12-6-2-3-7-13-21)24-18(22)11-10-17-20-15-8-4-5-9-16(15)25-17/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3/b11-10+