[7-acetyloxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ethanoate hydrochloride

Systemtic Name: [7-acetyloxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ethanoate hydrochloride Openeye Name: (7-acetoxy-3-benzyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) acetate hydrochloride CAS Name: acetic acid [7-acetyloxy-5-phenyl-3-(phenylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-8-yl] ester hydrochloride IUPAC Name: (7-acetyloxy-3-benzyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) acetate hydrochloride Traditional Name: acetic acid (7-acetoxy-3-benzyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-yl) ester hydrochloride Formula: C27H28ClNO4 MolecularWeight: 465.96852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C2C(CN(CCC2=C1)CC3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C.Cl

Isomeric SMILES

CC(=O)OC1=C(C=C2C(CN(CCC2=C1)CC3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C.Cl

InChI

InChI=1S/C27H27NO4.ClH/c1-19(29)31-26-15-23-13-14-28(17-21-9-5-3-6-10-21)18-25(22-11-7-4-8-12-22)24(23)16-27(26)32-20(2)30;/h3-12,15-16,25H,13-14,17-18H2,1-2H3;1H