methyl (E)-3-[2-[7-(3-chloranylquinolin-2-yl)heptyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[2-[7-(3-chloranylquinolin-2-yl)heptyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[2-[7-(3-chloro-2-quinolyl)heptyl]phenyl]prop-2-enoate CAS Name: (E)-3-[2-[7-(3-chloro-2-quinolinyl)heptyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-[7-(3-chloroquinolin-2-yl)heptyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[2-[7-(3-chloro-2-quinolyl)heptyl]phenyl]acrylic acid methyl ester Formula: C26H28ClNO2 MolecularWeight: 421.95902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=CC=CC=C1CCCCCCCC2=NC3=CC=CC=C3C=C2Cl

Isomeric SMILES

COC(=O)/C=C/C1=CC=CC=C1CCCCCCCC2=NC3=CC=CC=C3C=C2Cl

InChI

InChI=1S/C26H28ClNO2/c1-30-26(29)18-17-21-13-8-7-12-20(21)11-5-3-2-4-6-16-25-23(27)19-22-14-9-10-15-24(22)28-25/h7-10,12-15,17-19H,2-6,11,16H2,1H3/b18-17+