dimethyl 2-[(4R,5R)-3-methoxycarbonyl-5-phenyl-1-(phenylmethyl)-4,5-dihydroazepin-4-yl]propanedioate

Systemtic Name: dimethyl 2-[(4R,5R)-3-methoxycarbonyl-5-phenyl-1-(phenylmethyl)-4,5-dihydroazepin-4-yl]propanedioate Openeye Name: dimethyl 2-[(4R,5R)-1-benzyl-3-methoxycarbonyl-5-phenyl-4,5-dihydroazepin-4-yl]propanedioate CAS Name: 2-[(4R,5R)-3-methoxycarbonyl-5-phenyl-1-(phenylmethyl)-4,5-dihydroazepin-4-yl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(4R,5R)-1-benzyl-3-methoxycarbonyl-5-phenyl-4,5-dihydroazepin-4-yl]propanedioate Traditional Name: 2-[(4R,5R)-1-benzyl-3-carbomethoxy-5-phenyl-4,5-dihydroazepin-4-yl]malonic acid dimethyl ester Formula: C26H27NO6 MolecularWeight: 449.49568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C=CC(C1C(C(=O)OC)C(=O)OC)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C=C[C@@H]([C@@H]1C(C(=O)OC)C(=O)OC)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H27NO6/c1-31-24(28)21-17-27(16-18-10-6-4-7-11-18)15-14-20(19-12-8-5-9-13-19)22(21)23(25(29)32-2)26(30)33-3/h4-15,17,20,22-23H,16H2,1-3H3/t20-,22+/m1/s1