(phenylmethyl) 7-methoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: (phenylmethyl) 7-methoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: benzyl 7-methoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 7-methoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-methoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 7-methoxy-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid benzyl ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NCCN(C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)NCCN(C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3/c1-22-16-7-8-17-15(11-16)12-20(10-9-19-17)18(21)23-13-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12-13H2,1H3