[8-acetyloxy-5-phenyl-3-(phenylmethyl)-9-propyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ethanoate hydrochloride

Systemtic Name: [8-acetyloxy-5-phenyl-3-(phenylmethyl)-9-propyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ethanoate hydrochloride Openeye Name: (8-acetoxy-3-benzyl-5-phenyl-9-propyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) acetate hydrochloride CAS Name: acetic acid [8-acetyloxy-5-phenyl-3-(phenylmethyl)-9-propyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester hydrochloride IUPAC Name: (8-acetyloxy-3-benzyl-5-phenyl-9-propyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) acetate hydrochloride Traditional Name: acetic acid (8-acetoxy-3-benzyl-5-phenyl-9-propyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester hydrochloride Formula: C30H34ClNO4 MolecularWeight: 508.04826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCN(CC(C2=CC(=C1OC(=O)C)OC(=O)C)C3=CC=CC=C3)CC4=CC=CC=C4.Cl

Isomeric SMILES

CCCC1=C2CCN(CC(C2=CC(=C1OC(=O)C)OC(=O)C)C3=CC=CC=C3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C30H33NO4.ClH/c1-4-11-26-25-16-17-31(19-23-12-7-5-8-13-23)20-28(24-14-9-6-10-15-24)27(25)18-29(34-21(2)32)30(26)35-22(3)33;/h5-10,12-15,18,28H,4,11,16-17,19-20H2,1-3H3;1H