methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)chromane-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)chroman-3-carboxylic acid methyl ester Formula: C25H22O6 MolecularWeight: 418.43858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(OC3=CC=CC=C23)C4=CC5=C(C=C4)OCO5)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(OC3=CC=CC=C23)C4=CC5=C(C=C4)OCO5)C(=O)OC

InChI

InChI=1S/C25H22O6/c1-27-17-10-7-15(8-11-17)22-18-5-3-4-6-19(18)31-24(23(22)25(26)28-2)16-9-12-20-21(13-16)30-14-29-20/h3-13,22-24H,14H2,1-2H3