1-oxacyclotridecane; [4-[(E)-2-quinolin-2-ylethenyl]phenyl] 2-methylprop-2-enoate

Systemtic Name: 1-oxacyclotridecane; [4-[(E)-2-quinolin-2-ylethenyl]phenyl] 2-methylprop-2-enoate Openeye Name: oxacyclotridecane; [4-[(E)-2-(2-quinolyl)vinyl]phenyl] 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [4-[(E)-2-(2-quinolinyl)ethenyl]phenyl] ester; oxacyclotridecane IUPAC Name: oxacyclotridecane; [4-[(E)-2-quinolin-2-ylethenyl]phenyl] 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [4-[(E)-2-(2-quinolyl)vinyl]phenyl] ester; oxacyclotridecane Formula: C33H41NO3 MolecularWeight: 499.68354

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)OC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C=C2.C1CCCCCCOCCCCC1

Isomeric SMILES

CC(=C)C(=O)OC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C=C2.C1CCCCCCOCCCCC1

InChI

InChI=1S/C21H17NO2.C12H24O/c1-15(2)21(23)24-19-13-8-16(9-14-19)7-11-18-12-10-17-5-3-4-6-20(17)22-18;1-2-4-6-8-10-12-13-11-9-7-5-3-1/h3-14H,1H2,2H3;1-12H2/b11-7+;