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

Systemtic Name: [8-butanoyloxy-9-chloranyl-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] butanoate Openeye Name: (8-butanoyloxy-9-chloro-5-indan-5-yl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) butanoate CAS Name: butanoic acid [9-chloro-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-8-(1-oxobutoxy)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [8-butanoyloxy-9-chloro-5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] butanoate Traditional Name: butyric acid (8-butyryloxy-9-chloro-5-indan-5-yl-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C28H34ClNO4 MolecularWeight: 484.02686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34ClNO4/c1-4-7-25(31)33-24-16-22-21(27(29)28(24)34-26(32)8-5-2)13-14-30(3)17-23(22)20-12-11-18-9-6-10-19(18)15-20/h11-12,15-16,23H,4-10,13-14,17H2,1-3H3