[(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] decanoate

Systemtic Name: [(5S)-8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] decanoate Openeye Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] decanoate CAS Name: decanoic acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] decanoate Traditional Name: capric acid [(5S)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C27H36ClNO2 MolecularWeight: 442.03324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=C(C=C2CCN(CC(C2=C1)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CCCCCCCCCC(=O)OC1=C(C=C2CCN(C[C@H](C2=C1)C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C27H36ClNO2/c1-3-4-5-6-7-8-12-15-27(30)31-26-19-23-22(18-25(26)28)16-17-29(2)20-24(23)21-13-10-9-11-14-21/h9-11,13-14,18-19,24H,3-8,12,15-17,20H2,1-2H3/t24-/m0/s1