(phenylmethyl) 10-methoxy-11-methylidene-6-oxidanylidene-1-phenylmethoxy-benzo[c][1]benzoxepine-3-carboxylate

Systemtic Name: (phenylmethyl) 10-methoxy-11-methylidene-6-oxidanylidene-1-phenylmethoxy-benzo[c][1]benzoxepine-3-carboxylate Openeye Name: benzyl 1-benzyloxy-10-methoxy-11-methylene-6-oxo-benzo[c][1]benzoxepine-3-carboxylate CAS Name: 10-methoxy-11-methylene-6-oxo-1-phenylmethoxy-3-benzo[c][1]benzoxepincarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 10-methoxy-11-methylidene-6-oxo-1-phenylmethoxybenzo[c][1]benzoxepine-3-carboxylate Traditional Name: 1-benzoxy-6-keto-10-methoxy-11-methylene-benzo[c][1]benzoxepin-3-carboxylic acid benzyl ester Formula: C31H24O6 MolecularWeight: 492.51866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C)C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)OC2=O

Isomeric SMILES

COC1=CC=CC2=C1C(=C)C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)OC2=O

InChI

InChI=1S/C31H24O6/c1-20-28-24(14-9-15-25(28)34-2)31(33)37-27-17-23(30(32)36-19-22-12-7-4-8-13-22)16-26(29(20)27)35-18-21-10-5-3-6-11-21/h3-17H,1,18-19H2,2H3