2-dimethylaminoethyl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate

Systemtic Name: 2-dimethylaminoethyl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate Openeye Name: 2-dimethylaminoethyl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate CAS Name: 5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 5-phenyl-3,4-dihydro-2H-1-benzoxepine-5-carboxylate Traditional Name: 5-phenyl-3,4-dihydro-2H-1-benzoxepin-5-carboxylic acid 2-dimethylaminoethyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1(CCCOC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCOC(=O)C1(CCCOC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO3/c1-22(2)14-16-25-20(23)21(17-9-4-3-5-10-17)13-8-15-24-19-12-7-6-11-18(19)21/h3-7,9-12H,8,13-16H2,1-2H3