methyl (2E)-2-[5-(3-phenylpropyl)-2,3-dihydrochromen-4-ylidene]ethanoate

Systemtic Name: methyl (2E)-2-[5-(3-phenylpropyl)-2,3-dihydrochromen-4-ylidene]ethanoate Openeye Name: methyl (2E)-2-[5-(3-phenylpropyl)chroman-4-ylidene]acetate CAS Name: (2E)-2-[5-(3-phenylpropyl)-3,4-dihydro-2H-1-benzopyran-4-ylidene]acetic acid methyl ester IUPAC Name: methyl (2E)-2-[5-(3-phenylpropyl)-2,3-dihydrochromen-4-ylidene]acetate Traditional Name: (2E)-2-[5-(3-phenylpropyl)chroman-4-ylidene]acetic acid methyl ester Formula: C21H22O3 MolecularWeight: 322.39758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1CCOC2=CC=CC(=C12)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/1\CCOC2=CC=CC(=C12)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H22O3/c1-23-20(22)15-18-13-14-24-19-12-6-11-17(21(18)19)10-5-9-16-7-3-2-4-8-16/h2-4,6-8,11-12,15H,5,9-10,13-14H2,1H3/b18-15+