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

Systemtic Name: 1-oxacyclotridecane; [4-[(E)-2-quinolin-4-ylethenyl]phenyl] 2-methylprop-2-enoate Openeye Name: oxacyclotridecane; [4-[(E)-2-(4-quinolyl)vinyl]phenyl] 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid [4-[(E)-2-(4-quinolinyl)ethenyl]phenyl] ester; oxacyclotridecane IUPAC Name: oxacyclotridecane; [4-[(E)-2-quinolin-4-ylethenyl]phenyl] 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid [4-[(E)-2-(4-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=CC=NC3=CC=CC=C23.C1CCCCCCOCCCCC1

Isomeric SMILES

CC(=C)C(=O)OC1=CC=C(C=C1)/C=C/C2=CC=NC3=CC=CC=C23.C1CCCCCCOCCCCC1

InChI

InChI=1S/C21H17NO2.C12H24O/c1-15(2)21(23)24-18-11-8-16(9-12-18)7-10-17-13-14-22-20-6-4-3-5-19(17)20;1-2-4-6-8-10-12-13-11-9-7-5-3-1/h3-14H,1H2,2H3;1-12H2/b10-7+;