(phenylmethyl) 1-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene-9-carboxylate

Systemtic Name: (phenylmethyl) 1-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene-9-carboxylate Openeye Name: benzyl 3-(1,1-dimethylheptyl)-1-methoxy-6,6-dimethyl-benzo[c]chromene-9-carboxylate CAS Name: 1-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-9-benzo[c][1]benzopyrancarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-methoxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene-9-carboxylate Traditional Name: 3-(1,1-dimethylheptyl)-1-methoxy-6,6-dimethyl-benzo[c]chromene-9-carboxylic acid benzyl ester Formula: C33H40O4 MolecularWeight: 500.6683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(=C1)OC)C3=C(C=CC(=C3)C(=O)OCC4=CC=CC=C4)C(O2)(C)C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(=C1)OC)C3=C(C=CC(=C3)C(=O)OCC4=CC=CC=C4)C(O2)(C)C

InChI

InChI=1S/C33H40O4/c1-7-8-9-13-18-32(2,3)25-20-28(35-6)30-26-19-24(31(34)36-22-23-14-11-10-12-15-23)16-17-27(26)33(4,5)37-29(30)21-25/h10-12,14-17,19-21H,7-9,13,18,22H2,1-6H3