(3-methyl-1,2-oxazol-5-yl)methyl (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: (3-methylisoxazol-5-yl)methyl (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid (3-methylisoxazol-5-yl)methyl ester Formula: C20H24N2O3 MolecularWeight: 340.41616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=NOC(=C1)COC(=O)/C=C/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H24N2O3/c1-16-14-19(25-21-16)15-24-20(23)11-8-17-6-9-18(10-7-17)22-12-4-2-3-5-13-22/h6-11,14H,2-5,12-13,15H2,1H3/b11-8+