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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [2-(azepan-1-yl)-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 [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] (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-ethyl] ester Formula: C18H20N2O4 MolecularWeight: 328.3624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3O2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H20N2O4/c21-17(20-11-5-1-2-6-12-20)13-23-18(22)10-9-16-19-14-7-3-4-8-15(14)24-16/h3-4,7-10H,1-2,5-6,11-13H2/b10-9+