2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-2-methoxy-phenoxy]ethanoate

Systemtic Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-2-methoxy-phenoxy]ethanoate Openeye Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-2-methoxy-phenoxy]acetate CAS Name: 2-[4-[(E)-3-[4-(1-azepanyl)phenyl]-1-oxoprop-2-enyl]-2-methoxyphenoxy]acetate IUPAC Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoyl]-2-methoxyphenoxy]acetate Traditional Name: 2-[4-[(E)-3-[4-(azepan-1-yl)phenyl]acryloyl]-2-methoxy-phenoxy]acetate Formula: C24H26NO5- MolecularWeight: 408.46694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C=CC2=CC=C(C=C2)N3CCCCCC3)OCC(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)/C=C/C2=CC=C(C=C2)N3CCCCCC3)OCC(=O)[O-]

InChI

InChI=1S/C24H27NO5/c1-29-23-16-19(9-13-22(23)30-17-24(27)28)21(26)12-8-18-6-10-20(11-7-18)25-14-4-2-3-5-15-25/h6-13,16H,2-5,14-15,17H2,1H3,(H,27,28)/p-1/b12-8+