ethyl 2-[(11E)-11-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propylidene]-6-oxidanylidene-benzo[c][1]benzazepin-5-yl]ethanoate

Systemtic Name: ethyl 2-[(11E)-11-[3-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]propylidene]-6-oxidanylidene-benzo[c][1]benzazepin-5-yl]ethanoate Openeye Name: ethyl 2-[(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]propylidene]-6-oxo-benzo[c][1]benzazepin-5-yl]acetate CAS Name: 2-[(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]propylidene]-6-oxo-5-benzo[c][1]benzazepinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-6-oxobenzo[c][1]benzazepin-5-yl]acetate Traditional Name: 2-[(11E)-11-[3-[4-(4-chlorophenyl)-4-hydroxy-piperidino]propylidene]-6-keto-benzo[c][1]benzazepin-5-yl]acetic acid ethyl ester Formula: C32H33ClN2O4 MolecularWeight: 545.06842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=CCCN3CCC(CC3)(C4=CC=C(C=C4)Cl)O)C5=CC=CC=C5C1=O

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2/C(=C/CCN3CCC(CC3)(C4=CC=C(C=C4)Cl)O)/C5=CC=CC=C5C1=O

InChI

InChI=1S/C32H33ClN2O4/c1-2-39-30(36)22-35-29-12-6-5-9-27(29)25(26-8-3-4-10-28(26)31(35)37)11-7-19-34-20-17-32(38,18-21-34)23-13-15-24(33)16-14-23/h3-6,8-16,38H,2,7,17-22H2,1H3/b25-11+