methyl 5,8-dimethyl-7-phenylmethoxy-2,5-dihydro-1-benzoxepine-2-carboxylate

Systemtic Name: methyl 5,8-dimethyl-7-phenylmethoxy-2,5-dihydro-1-benzoxepine-2-carboxylate Openeye Name: methyl 7-benzyloxy-5,8-dimethyl-2,5-dihydro-1-benzoxepine-2-carboxylate CAS Name: 5,8-dimethyl-7-phenylmethoxy-2,5-dihydro-1-benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 5,8-dimethyl-7-phenylmethoxy-2,5-dihydro-1-benzoxepine-2-carboxylate Traditional Name: 7-benzoxy-5,8-dimethyl-2,5-dihydro-1-benzoxepin-2-carboxylic acid methyl ester Formula: C21H22O4 MolecularWeight: 338.39698

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(OC2=CC(=C(C=C12)OCC3=CC=CC=C3)C)C(=O)OC

Isomeric SMILES

CC1C=CC(OC2=CC(=C(C=C12)OCC3=CC=CC=C3)C)C(=O)OC

InChI

InChI=1S/C21H22O4/c1-14-9-10-18(21(22)23-3)25-20-11-15(2)19(12-17(14)20)24-13-16-7-5-4-6-8-16/h4-12,14,18H,13H2,1-3H3