bis(phenylmethyl) 5-(2,3,4,5-tetrahydro-1H-3-benzazepin-4-ylcarbonylamino)benzene-1,3-dicarboxylate

Systemtic Name: bis(phenylmethyl) 5-(2,3,4,5-tetrahydro-1H-3-benzazepin-4-ylcarbonylamino)benzene-1,3-dicarboxylate Openeye Name: dibenzyl 5-(2,3,4,5-tetrahydro-1H-3-benzazepine-4-carbonylamino)benzene-1,3-dicarboxylate CAS Name: 5-[[oxo(2,3,4,5-tetrahydro-1H-3-benzazepin-4-yl)methyl]amino]benzene-1,3-dicarboxylic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 5-(2,3,4,5-tetrahydro-1H-3-benzazepine-4-carbonylamino)benzene-1,3-dicarboxylate Traditional Name: 5-(2,3,4,5-tetrahydro-1H-3-benzazepine-4-carbonylamino)benzene-1,3-dicarboxylic acid dibenzyl ester Formula: C33H30N2O5 MolecularWeight: 534.6017

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(CC2=CC=CC=C21)C(=O)NC3=CC(=CC(=C3)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CNC(CC2=CC=CC=C21)C(=O)NC3=CC(=CC(=C3)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H30N2O5/c36-31(30-20-26-14-8-7-13-25(26)15-16-34-30)35-29-18-27(32(37)39-21-23-9-3-1-4-10-23)17-28(19-29)33(38)40-22-24-11-5-2-6-12-24/h1-14,17-19,30,34H,15-16,20-22H2,(H,35,36)