methyl 3-oxidanylidene-5-(phenylmethyl)-4,5-dihydro-1-benzoxepine-7-carboxylate

Systemtic Name: methyl 3-oxidanylidene-5-(phenylmethyl)-4,5-dihydro-1-benzoxepine-7-carboxylate Openeye Name: methyl 5-benzyl-3-oxo-4,5-dihydro-1-benzoxepine-7-carboxylate CAS Name: 3-oxo-5-(phenylmethyl)-4,5-dihydro-1-benzoxepin-7-carboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-3-oxo-4,5-dihydro-1-benzoxepine-7-carboxylate Traditional Name: 5-benzyl-3-keto-4,5-dihydro-1-benzoxepin-7-carboxylic acid methyl ester Formula: C19H18O4 MolecularWeight: 310.34382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OCC(=O)CC2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OCC(=O)CC2CC3=CC=CC=C3

InChI

InChI=1S/C19H18O4/c1-22-19(21)14-7-8-18-17(11-14)15(10-16(20)12-23-18)9-13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3