[9-chloranyl-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-8-(phenylcarbonyloxy)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] benzoate

Systemtic Name: [9-chloranyl-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-8-(phenylcarbonyloxy)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] benzoate Openeye Name: (8-benzoyloxy-9-chloro-5-indan-5-yl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) benzoate CAS Name: benzoic acid [8-benzoyloxy-9-chloro-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [8-benzoyloxy-9-chloro-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] benzoate Traditional Name: benzoic acid (8-benzoyloxy-9-chloro-5-indan-5-yl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C34H30ClNO4 MolecularWeight: 552.0593

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC4=C(CCC4)C=C3)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)Cl

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC4=C(CCC4)C=C3)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)Cl

InChI

InChI=1S/C34H30ClNO4/c1-36-18-17-27-28(29(21-36)26-16-15-22-13-8-14-25(22)19-26)20-30(39-33(37)23-9-4-2-5-10-23)32(31(27)35)40-34(38)24-11-6-3-7-12-24/h2-7,9-12,15-16,19-20,29H,8,13-14,17-18,21H2,1H3