diethyl 2-[5-(2-dimethylaminoethyl)-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]propanedioate

Systemtic Name: diethyl 2-[5-(2-dimethylaminoethyl)-6-oxidanylidene-11H-benzo[c][1]benzazepin-11-yl]propanedioate Openeye Name: diethyl 2-[5-(2-dimethylaminoethyl)-6-oxo-11H-benzo[c][1]benzazepin-11-yl]propanedioate CAS Name: 2-[5-(2-dimethylaminoethyl)-6-oxo-11H-benzo[c][1]benzazepin-11-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[5-(2-dimethylaminoethyl)-6-oxo-11H-benzo[c][1]benzazepin-11-yl]propanedioate Traditional Name: 2-[5-(2-dimethylaminoethyl)-6-keto-11H-benzo[c][1]benzazepin-11-yl]malonic acid diethyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CCN(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1C2=CC=CC=C2C(=O)N(C3=CC=CC=C13)CCN(C)C)C(=O)OCC

InChI

InChI=1S/C25H30N2O5/c1-5-31-24(29)22(25(30)32-6-2)21-17-11-7-8-12-18(17)23(28)27(16-15-26(3)4)20-14-10-9-13-19(20)21/h7-14,21-22H,5-6,15-16H2,1-4H3