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

Systemtic Name: [9-chloranyl-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-8-propanoyloxy-1,2,4,5-tetrahydro-3-benzazepin-7-yl] propanoate Openeye Name: (9-chloro-5-indan-5-yl-3-methyl-8-propanoyloxy-1,2,4,5-tetrahydro-3-benzazepin-7-yl) propanoate CAS Name: propanoic acid [9-chloro-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-8-(1-oxopropoxy)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [9-chloro-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-8-propanoyloxy-1,2,4,5-tetrahydro-3-benzazepin-7-yl] propanoate Traditional Name: propionic acid (9-chloro-5-indan-5-yl-3-methyl-8-propionyloxy-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C26H30ClNO4 MolecularWeight: 455.9737

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(=C2CCN(CC(C2=C1)C3=CC4=C(CCC4)C=C3)C)Cl)OC(=O)CC

Isomeric SMILES

CCC(=O)OC1=C(C(=C2CCN(CC(C2=C1)C3=CC4=C(CCC4)C=C3)C)Cl)OC(=O)CC

InChI

InChI=1S/C26H30ClNO4/c1-4-23(29)31-22-14-20-19(25(27)26(22)32-24(30)5-2)11-12-28(3)15-21(20)18-10-9-16-7-6-8-17(16)13-18/h9-10,13-14,21H,4-8,11-12,15H2,1-3H3